SCHEMBL3700510

SCHEMBL3700510

CCOC(=O)N(c1ccccc1Cl)c1c(C)noc1-c1ccc(Cc2cccc(CC(=O)OC)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.36
LPAR2 Q9HBW0 2/20 0.36
LPAR3 Q9UBY5 2/20 0.36
ALOX15 P16050 1/20 0.35
CRHBP P24387 1/20 0.35
HTT P42858 1/20 0.35
CRHR2 Q13324 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
ACR P10323 1/20 0.33
IP6K1 Q92551 1/20 0.33
IP6K3 Q96PC2 1/20 0.33
IP6K2 Q9UHH9 1/20 0.33
PPARD Q03181 3/20 0.33
FTO Q9C0B1 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CCNE2 O96020 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
SLC7A5 Q01650 1/20 0.32

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
SCHEMBL3711134 0.92 LPAR1 (0.42) LPAR1LPAR2LPAR3IP6K1IP6K3
SCHEMBL2336634 0.91 LPAR1 (0.43) LPAR1LPAR2LPAR3ALOX15CRHBP
SCHEMBL3705145 0.90 TLR7 (0.35) LPAR1TLR7IP6K1IP6K3IP6K2
SCHEMBL3707582 0.89 LPAR1 (0.39) LPAR1LPAR2LPAR3ALOX15CRHBP
SCHEMBL3717698 0.89 P2RX3 (0.38) LPAR1LPAR2LPAR3ALOX15CRHBP
SCHEMBL3706744 0.87 IP6K1 (0.43) LPAR1LPAR2LPAR3IP6K1IP6K3
SCHEMBL2338062 0.87 LPAR1 (0.38) LPAR1LPAR2LPAR3ALOX15CRHBP
SCHEMBL3704161 0.86 LPAR1 (0.47) LPAR1LPAR2LPAR3HTTIP6K1
SCHEMBL3708634 0.85 ALDH1A1 (0.42) LPAR1LPAR2LPAR3L3MBTL1PPARD
SCHEMBL2339543 0.85 LPAR1 (0.42) LPAR1LPAR2LPAR3ALOX15CRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed