SCHEMBL3814477

SCHEMBL3814477

CC(c1ccc(O)c(C(C)N(C)C)c1)N(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CYP2C9 P11712 1/20 0.41
RECQL P46063 4/20 0.40
TDP1 Q9NUW8 4/20 0.40
KDM4E B2RXH2 4/20 0.40
LMNA P02545 2/20 0.40
HIF1A Q16665 2/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
THPO P40225 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
MTOR P42345 1/20 0.40
BLM P54132 1/20 0.40
ACHE P22303 9/20 0.39
ALDH1A1 P00352 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10949863 0.80 LMNA (0.48) MAPTKMT2AMEN1CYP2C9TDP1
SCHEMBL29964165 0.78 ALOX15 (0.43) MAPTKMT2AMEN1CYP2C9TDP1
SCHEMBL5681794 0.78 PDE10A (0.45) MAPTKMT2AMEN1CYP2C9RECQL
SCHEMBL623519 0.77 MEN1 (0.40) MAPTKMT2AMEN1CYP2C9LMNA
SCHEMBL5983229 0.76 ACHE (0.37) MAPTKMT2AMEN1CYP2C9ACHE
SCHEMBL16416939 0.76 ACHE (0.40) MAPTKMT2AMEN1RECQLTDP1
SCHEMBL8418977 0.74 MEN1 (0.37) MAPTKMT2AMEN1CYP2C9TDP1
SCHEMBL5982763 0.73 GAA (0.37) MAPTKMT2ARECQLTDP1KDM4E
SCHEMBL36796 0.72 GABRA1 (0.60) MAPTKMT2AMEN1CYP2C9RECQL
SCHEMBL18762840 0.72 CHRNA7 (0.43) MAPTKMT2AMEN1CYP2C9KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10385177-B2 Reactivity drift and catalyst degradation in polyurethane foam FOAM SUPPLIES, INC. (US) 2019-08-20 US disclosed
US-7553963-B2 Liquid partially trimerized and allophanized polyisocyanates based on toluene diisocyanate and diphenylmethane diisocyanate BAYER MATERIALSCIENCE LLC (US) 2009-06-30 US disclosed
EP-1682595-A1 LIQUID PARTIALLY TRIMERIZED AND ALLOPHANIZED POLYISOCYANATES BASED ON TOLUENE DIISOCYANATE AND DIPHENYLMETHANE DIISOCYANATE Bayer MaterialScience LLC (US) 2006-07-26 EP disclosed
US-20060030633-A1 Reactivity drift and catalyst degradation in polyurethane foam FOAM SUPPLIES, INC. 2006-02-09 US disclosed
WO-2005044886-A1 LIQUID PARTIALLY TRIMERIZED AND ALLOPHANIZED POLYISOCYANATES BASED ON TOLUENE DIISOCYANATE AND DIPHENYLMETHANE DIISOCYANATE BAYER MATERIALSCIENCE LLC (US) 2005-05-19 WO disclosed
US-20050096449-A1 Liquid partially trimerized and allophanized polyisocyanates based on toluene diisocyanate and diphenylmethane diisocyanate BAYER MATERIALSCIENCE LLC 2005-05-05 US disclosed
EP-1392749-A2 LIQUID PARTIALLY TRIMERIZED POLYISOCYNATES BASED ON TOULENE DIISOCYANATE AND DIPHENYLMETHANE DIISOCYANATE Bayer Polymers LLC (US) 2004-03-03 EP disclosed
US-6515125-B1 Storage-stability, also urethane prepolymers BAYER CORPORATION 2003-02-04 US disclosed
US-20030013834-A1 LIQUID PARTIALLY TRIMERIZED POLYISOCYANATES BASED ON TOLUENE DIISOCYANATE AND DIPHENYLMETHANE DIISOCYANATE BAYER MATERIALSCIENCE LLC 2003-01-16 US disclosed
WO-2002072656-A2 LIQUID PARTIALLY TRIMERIZED POLYISOCYNATES BASED ON TOULENE DIISOCYANATE AND DIPHENYLMETHANE DIISOCYANATE BAYER POLYMERS LLC (US) 2002-09-19 WO disclosed
US-5114984-A Dissolving pyrithione salt in alkanolamine; polymerization of polyol and polyisocyanate OLIN CORPORATION (US) 1992-05-19 US disclosed
US-5112878-A Free of CFC blowing agents OLIN CORPORATION (US) 1992-05-12 US disclosed
US-4766158-A CATALYTIC REACTION OF POLYISOCYANATES AND POLYEPOXIDE OLIN CORPORATION (US) 1988-08-23 US disclosed
EP-0254097-A2 Catalyst mixtures for polyisocyanurate foam THE CELOTEX CORPORATION (US) 1988-01-27 EP disclosed
US-4710521-A SALT OF CARBOXYLIC ACIDS AND TERTIARY AMINES THE CELOTEX CORPORATION (US) 1987-12-01 US disclosed
US-4699931-A REACTING POLYISOCYANATE WITH POLYEPOXIDE-THERMAL STABILITY OLIN CORPORATION (US) 1987-10-13 US disclosed
US-4699932-A UREA-AND WATER-FREE OLIN CORPORATION (US) 1987-10-13 US disclosed
US-4221877-A Modified diphenylmethane diisocyanates useful in polyurethanes or polyisocyanurates TEXACO DEVELOPMENT CORP. (US) 1980-09-09 US disclosed
US-4126741-A High-modulus polyisocyanurate elastomers THE UPJOHN COMPANY (US) 1978-11-21 US disclosed
US-4126742-A High-modulus polyisocyanurate elastomers THE UPJOHN COMPANY (US) 1978-11-21 US disclosed