SCHEMBL9068633

SCHEMBL9068633

CN(C)Cc1cccc(O)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
POLB P06746 1/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
THRB P10828 1/20 0.52
G6PD P11413 1/20 0.52
PABPC1 P11940 1/20 0.52
KMT2A Q03164 1/20 0.52
HKDC1 Q2TB90 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ALOX15 P16050 3/20 0.52
HSD17B10 Q99714 2/20 0.52
CYP2C9 P11712 1/20 0.52
HTR2A P28223 3/20 0.51
HTR2C P28335 2/20 0.51
HTR2B P41595 2/20 0.51
IAPP P10997 4/20 0.48

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
SCHEMBL1698715 0.89 GABRA1 (0.54) ALDH1A1TDP1KDM4EMEN1POLB
SCHEMBL6777956 0.83 HTR2A (0.45) ALDH1A1TDP1KDM4EMEN1POLB
SCHEMBL29354255 0.82 ALDH1A1 (0.56) ALDH1A1TDP1KDM4EMEN1POLB
SCHEMBL116610 0.82 ALDH1A1 (0.56) ALDH1A1TDP1KDM4EMEN1POLB
SCHEMBL8045012 0.81 HTR2A (0.50) ALDH1A1TDP1KDM4EMEN1POLB
SCHEMBL796968 0.81 HTR2A (0.50) ALDH1A1TDP1KDM4EMEN1POLB
SCHEMBL8045011 0.81 ALDH1A1 (0.52) ALDH1A1TDP1KDM4EMEN1POLB
SCHEMBL29368415 0.81 HTR2A (0.50) ALDH1A1TDP1KDM4EMEN1POLB
SCHEMBL28611072 0.80 ALDH1A1 (0.54) ALDH1A1TDP1KDM4EMEN1POLB
Hydrochloric Acid SCHEMBL6915484 0.80 ALDH1A1 (0.54) ALDH1A1TDP1KDM4EMEN1POLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5563180-A REACTING POLYISOCYANATE, POLYESTERPOLYOL IN THE PRESENCE OF BLOWING AGENT AND CATALYST; CLOSED CELL RIGID FOAM THE CELOTEX CORPORATION (US) 1996-10-08 US disclosed
US-5470889-A Fire resistant roofing material THE CELOTEX CORPORATION (US) 1995-11-28 US disclosed
US-5405884-A Mixture of alkali or alkaline earth metal carboxylic salt, tertiary amine and quaternary ammonium carboxylic salt THE CELOTEX CORPORATION (US) 1995-04-11 US disclosed
US-5308883-A Rigid closed-cell foam from polyisocyanate and polyesterpolyol and blowing agent with catalyst THE CELOTEX CORPORATION (US) 1994-05-03 US disclosed
US-4710521-A SALT OF CARBOXYLIC ACIDS AND TERTIARY AMINES THE CELOTEX CORPORATION (US) 1987-12-01 US disclosed