SCHEMBL4849893

SCHEMBL4849893

C=CC(=O)OC(Cl)CC.CN(C)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
TSHR P16473 1/20 0.46
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSK P43235 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL2794369 0.88 TSHR (0.47) ALDH1A1TSHRNPC1RAB9AMEN1
SCHEMBL3899762 0.83 ALDH1A1 (0.45) ALDH1A1TSHRNPC1RAB9AMEN1
Acrylic Acid Methyl Ester SCHEMBL27606783 0.81 ALDH1A1 (0.53) ALDH1A1TSHRNPC1RAB9ACYP3A4
Acrylic Acid Ethyl Ester SCHEMBL3626767 0.80 ALDH1A1 (0.52) ALDH1A1TSHRNPC1RAB9AKMT2A
Acrylic Acid Ethyl Ester SCHEMBL866043 0.79 ALDH1A1 (0.50) ALDH1A1TSHRNPC1RAB9AKMT2A
Trimethylammonium SCHEMBL1301805 0.79 TSHR (0.39) ALDH1A1TSHRCYP3A4HSD17B10HPGD
SCHEMBL8777463 0.77
SCHEMBL2518739 0.77 THRB (0.49) ALDH1A1TSHRNPC1RAB9ACYP3A4
Acrylic Acid SCHEMBL11072293 0.76 ALDH1A1 (0.63) ALDH1A1TSHRNPC1RAB9AMEN1
Acrylic Acid SCHEMBL11072291 0.76 ALDH1A1 (0.63) ALDH1A1TSHRNPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7361402-B2 primer layer containing a cross-linked adhesive polymer having a semicrystalline region and a polar region, wherein the cross-linked adhesive polymer has a tensile strength at maximum elongation that is less than that of an otherwise identical adhesive polymer that has not been cross-linked 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-04-22 US disclosed
US-20040224101-A1 Cross-linked primer composition and use thereof in thermoformable films 3M INNOVATIVE PROPERTIES COMPANY 2004-11-11 US disclosed
EP-1439965-A2 CROSS-LINKED PRIMER COMPOSITION AND USE THEREOF IN THERMOFORMABLE FILMS 3M Innovative Properties Company (US) 2004-07-28 EP disclosed
WO-2003037648-A2 CROSS-LINKED PRIMER COMPOSITION AND USE THEREOF IN THERMOFORMABLE FILMS 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-05-08 WO disclosed