SCHEMBL22257227

SCHEMBL22257227

Cc1noc(-c2ccc(C3(C(=O)O)CC3)cc2)c1NC(=O)OC(C)c1ccccc1

nearest known ligand 0.98

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 20/20 0.98
ABCC3 O15438 1/20 0.98
ABCC4 O15439 1/20 0.98
ABCB11 O95342 1/20 0.98
CYP2C8 P10632 1/20 0.98
CYP2C9 P11712 1/20 0.98
ABCB4 P21439 1/20 0.98
ABCC2 Q92887 1/20 0.98
SLCO1B3 Q9NPD5 1/20 0.98
SLCO1B1 Q9Y6L6 1/20 0.98
LPAR3 Q9UBY5 13/20 0.76
HRH1 P35367 1/20 0.60
LPAR2 Q9HBW0 2/20 0.53

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
SCHEMBL14794837 1.00 LPAR1 (0.98) LPAR1ABCC3ABCC4ABCB11CYP2C8
Bms-986020 SCHEMBL344742 0.99 LPAR1 (1.00) LPAR1ABCC3ABCC4ABCB11CYP2C8
Bms-986020 SCHEMBL343068 0.99 LPAR1 (1.00) LPAR1ABCC3ABCC4ABCB11CYP2C8
Bms-986020 SCHEMBL14590 0.99 LPAR1 (1.00) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL343858 0.96 LPAR1 (0.94) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL343859 0.96 LPAR1 (0.94) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL2761567 0.95 LPAR1 (0.90) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL12973623 0.95 LPAR1 (0.90) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL343865 0.95 LPAR1 (0.93) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL343864 0.95 LPAR1 (0.93) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3912975-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND PREPARATION METHOD THEREFOR Wuhan LL Science And Technology Development Co., Ltd. (CN) 2021-11-24 EP disclosed
WO-2020147739-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND PREPARATION METHOD THEREFOR 武汉朗来科技发展有限公司 2020-07-23 WO disclosed