SCHEMBL3710883

SCHEMBL3710883

CCOC(=O)N(c1ccccc1Cl)c1c(C)noc1-c1ccc(COc2cccc(C(=O)OC)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 5/20 0.48
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.41
SMPD1 P17405 6/20 0.41
MAPT P10636 2/20 0.41
VDR P11473 2/20 0.40
ESR1 P03372 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
RXRA P19793 1/20 0.39
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
ESR2 Q92731 1/20 0.39
LIFR P42702 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL3701994 0.92 NR1H4 (0.46) NR1H4HPGDLMNASMPD1MAPT
SCHEMBL3714395 0.85 NR1H4 (0.40) NR1H4HPGDLMNAMAPT
SCHEMBL3708634 0.85 ALDH1A1 (0.42) NR1H4SMPD1VDRESR1THRA
SCHEMBL3702563 0.83 NR1H4 (0.46) NR1H4PPARD
SCHEMBL3710274 0.83 JMJD6 (0.38) NR1H4LMNAMAPTTHRB
SCHEMBL3709692 0.82 MAPT (0.44) NR1H4HPGDLMNASMPD1MAPT
SCHEMBL3702769 0.80 S1PR1 (0.38) NR1H4HPGDLMNA
SCHEMBL2336634 0.80 LPAR1 (0.43) HPGDTHRB
SCHEMBL3706744 0.80 IP6K1 (0.43) NR1H4HPGDLMNAMAPTMRGPRX4
SCHEMBL2332523 0.80 MAPT (0.40) HPGDLMNAMAPTTHRB

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