SCHEMBL3708635

SCHEMBL3708635

COC(=O)Cc1ccc(OCc2ccc(-c3onc(C)c3NC(=O)OCCc3ccccc3Cl)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.50
LPAR3 Q9UBY5 3/20 0.50
LPAR2 Q9HBW0 2/20 0.50
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 1/20 0.44
ALOX5 P09917 3/20 0.42
ALOX5AP P20292 3/20 0.42
SCN9A Q15858 2/20 0.41
SCN5A Q14524 1/20 0.41
PLA2G1B P04054 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
PPARD Q03181 4/20 0.39
ESR1 P03372 2/20 0.39
THRA P10827 2/20 0.39
THRB P10828 2/20 0.39
VDR P11473 2/20 0.39
RXRA P19793 2/20 0.39

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
SCHEMBL3702564 0.93 LPAR1 (0.59) LPAR1LPAR3LPAR2ALOX5ALOX5AP
SCHEMBL2336641 0.93 LPAR1 (0.57) LPAR1LPAR3LPAR2ALDH1A1SCN9A
SCHEMBL3714447 0.87 LPAR1 (0.51) LPAR1LPAR3LPAR2NPC1ALDH1A1
SCHEMBL2339547 0.87 LPAR1 (0.56) LPAR1LPAR3LPAR2ALDH1A1SCN9A
SCHEMBL3717699 0.86 LPAR1 (0.45) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3700512 0.85 LPAR1 (0.48) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3710887 0.85 NR1H4 (0.48) LPAR1LPAR3LPAR2NPC1RAB9A
SCHEMBL3700613 0.85 LPAR1 (0.61) LPAR1LPAR3LPAR2RAB9AALOX5
SCHEMBL3707585 0.85 LPAR1 (0.53) LPAR1LPAR3LPAR2ALDH1A1SCN9A
SCHEMBL3704466 0.85 LPAR1 (0.47) LPAR1LPAR3LPAR2SCN9ASCN5A

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