SCHEMBL2636040

SCHEMBL2636040

Cc1noc(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)c1NC(=O)OCCc1ccccc1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 12/20 0.63
ABCC3 O15438 1/20 0.63
ABCC4 O15439 1/20 0.63
ABCB11 O95342 1/20 0.63
CYP2C8 P10632 1/20 0.63
CYP2C9 P11712 1/20 0.63
ABCB4 P21439 1/20 0.63
ABCC2 Q92887 1/20 0.63
SLCO1B3 Q9NPD5 1/20 0.63
SLCO1B1 Q9Y6L6 1/20 0.63
LPAR3 Q9UBY5 4/20 0.49
LPAR2 Q9HBW0 2/20 0.49
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
SCN9A Q15858 3/20 0.41
SCN5A Q14524 2/20 0.41
NR1H4 Q96RI1 2/20 0.39
HRH1 P35367 1/20 0.38
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL2761354 0.95 LPAR1 (0.57) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL2636518 0.92 LPAR1 (0.64) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL2636211 0.90 LPAR1 (0.61) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL6695 0.89 LPAR1 (0.67) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL2635786 0.88 LPAR1 (0.60) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL2636516 0.88 LPAR1 (0.60) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL2761557 0.87 LPAR1 (0.48) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL1247179 0.87 SCN9A (0.55) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL2636704 0.87 LPAR1 (0.64) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL2635823 0.86 LPAR1 (0.63) LPAR1ABCC3ABCC4ABCB11CYP2C8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2438048-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS Amira Pharmaceuticals, Inc. (US) 2012-04-11 EP claimed
WO-2011159632-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CONDITIONS OR DISEASES OF THE EYE AMIRA PHARMACEUTICALS, INC. (US) 2011-12-22 WO claimed
WO-2010141761-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 WO claimed
EP-2438048-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS Amira Pharmaceuticals, Inc. (US) 2012-04-11 EP disclosed
WO-2011159632-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CONDITIONS OR DISEASES OF THE EYE AMIRA PHARMACEUTICALS, INC. (US) 2011-12-22 WO disclosed
WO-2011159635-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONIST FOR THE TREATMENT OF DERMAL CONDITIONS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-22 WO disclosed
WO-2010141761-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 WO disclosed
WO-2010141768-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 WO disclosed