SCHEMBL15501110

SCHEMBL15501110

Cc1noc(-c2ccc(-c3ccc(CC(=O)N=O)cc3)cc2)c1NC(=O)OC(C)c1cccc(C(F)(F)F)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 13/20 0.64
LPAR3 Q9UBY5 10/20 0.55
LPAR2 Q9HBW0 2/20 0.53
ABCC3 O15438 1/20 0.51
ABCC4 O15439 1/20 0.51
ABCB11 O95342 1/20 0.51
CYP2C8 P10632 1/20 0.51
CYP2C9 P11712 1/20 0.51
ABCB4 P21439 1/20 0.51
ABCC2 Q92887 1/20 0.51
SLCO1B3 Q9NPD5 1/20 0.51
SLCO1B1 Q9Y6L6 1/20 0.51
MAPT P10636 2/20 0.40
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
ADAMTS4 O75173 1/20 0.35
MMP13 P45452 1/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL2294103 0.91 LPAR1 (0.77) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL2290408 0.89 LPAR1 (0.64) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL343498 0.86 LPAR1 (0.64) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL2761319 0.84 LPAR1 (0.59) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL14778882 0.84 LPAR1 (0.59) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL2761571 0.82 LPAR1 (0.55) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL343639 0.81 LPAR1 (0.79) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL343638 0.81 LPAR1 (0.79) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL14777497 0.81 LPAR1 (0.61) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL2761035 0.81 LPAR1 (0.61) LPAR1LPAR3LPAR2ABCC3ABCC4

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
EP-2358688-B1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS INC (US) 2014-03-12 EP disclosed