SCHEMBL2780170

SCHEMBL2780170

Cc1noc(-c2ccccc2)c1NC(=O)OC(C)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 11/20 1.00
LPAR3 Q9UBY5 6/20 1.00
ABCC3 O15438 1/20 0.74
ABCC4 O15439 1/20 0.74
ABCB11 O95342 1/20 0.74
CYP2C8 P10632 1/20 0.74
CYP2C9 P11712 1/20 0.74
ABCB4 P21439 1/20 0.74
ABCC2 Q92887 1/20 0.74
SLCO1B3 Q9NPD5 1/20 0.74
SLCO1B1 Q9Y6L6 1/20 0.74
LPAR2 Q9HBW0 2/20 0.60
MAPT P10636 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NAAA Q02083 1/20 0.41
HRH1 P35367 1/20 0.41
PTGS1 P23219 1/20 0.40
STAT3 P40763 1/20 0.40

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
SCHEMBL12153261 0.98 LPAR1 (0.95) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL12153260 0.98 LPAR1 (0.95) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL4028122 0.94 LPAR1 (0.89) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL343102 0.93 LPAR1 (0.87) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL343473 0.93 LPAR1 (0.87) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL7064 0.93 LPAR1 (0.87) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL2761267 0.93 LPAR1 (0.87) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL12973636 0.93 LPAR1 (0.87) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL4031587 0.93 LPAR1 (0.87) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL20533210 0.92 LPAR1 (0.85) LPAR1LPAR3ABCC3ABCC4ABCB11

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-2010141768-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 WO disclosed