SCHEMBL6703576

SCHEMBL6703576

COC(=O)c1cccc(Cn2c(C(=O)Nc3nc(-c4cc(Br)c(OC)cc4OC)c(CCC4CCCCC4)s3)cc3cc(C)cc(C)c32)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
PPM1D O15297 1/20 0.35
TRPV4 Q9HBA0 6/20 0.35
SCD O00767 1/20 0.33
PLTP P55058 2/20 0.32
TP53 P04637 2/20 0.32
TPH1 P17752 2/20 0.32
TPH2 Q8IWU9 2/20 0.32
THRB P10828 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ACKR3 P25106 1/20 0.32
MAPK8 P45983 1/20 0.31
SAE1 Q9UBE0 1/20 0.31
UBA2 Q9UBT2 1/20 0.31

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
SCHEMBL6701378 0.94 PPM1D (0.36) MAPTPPM1DTRPV4PLTPTP53
SCHEMBL27581687 0.91 PPM1D (0.36) MAPTPPM1DTRPV4PLTPTPH1
SCHEMBL6703028 0.86 TRPV4 (0.36) MAPTTRPV4SCDPLTPTP53
SCHEMBL6703565 0.86 TRPV4 (0.35) MAPTTRPV4SCDPLTPTP53
SCHEMBL7092957 0.86 TRPV4 (0.36) MAPTTRPV4PLTPTP53SMN1; SMN2
SCHEMBL6701383 0.81 SAE1 (0.34) MAPTTRPV4TPH1TPH2THRB
SCHEMBL6701375 0.80 ACKR3 (0.36) MAPTTRPV4THRBSMN1; SMN2ACKR3
SCHEMBL27598406 0.79 PLTP (0.41) MAPTTRPV4PLTPTP53SMN1; SMN2
SCHEMBL6700555 0.79 TRPV4 (0.35) MAPTTRPV4PLTPSMN1; SMN2SAE1
SCHEMBL6698972 0.78 TRPV4 (0.34) MAPTTRPV4PLTPTP53SAE1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040198793-A1 Chemical process and new intermediates SANOFI-SYNTHELABO (FR) 2004-10-07 US disclosed
EP-1345897-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2003-09-24 EP disclosed
WO-2002044150-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2002-06-06 WO disclosed