SCHEMBL6703035

SCHEMBL6703035

C1CC2CC2C1.CCc1sc(NC(=O)c2cc3cc(C)cc(C)c3n2CC(=O)O)nc1-c1cc(Br)c(OC)cc1OC

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.34
TP53 P04637 5/20 0.34
TRPV4 Q9HBA0 5/20 0.33
SCD O00767 1/20 0.32
GAA P10253 1/20 0.32
ALDH1A1 P00352 4/20 0.32
HPGD P15428 2/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 2/20 0.31
KMT2A Q03164 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL6703028 0.86 TRPV4 (0.36) MAPTTP53TRPV4SCDGAA
SCHEMBL6703026 0.82 MAPT (0.34) MAPTTP53TRPV4SCDALDH1A1
SCHEMBL7086912 0.81 SCD (0.36) MAPTTP53TRPV4SCDALDH1A1
SCHEMBL6703565 0.81 TRPV4 (0.35) MAPTTP53TRPV4SCDALDH1A1
SCHEMBL6702802 0.80 GAA (0.39) MAPTTP53TRPV4GAAALDH1A1
SCHEMBL6701383 0.79 SAE1 (0.34) MAPTTRPV4ALDH1A1KDM4EKMT2A
SCHEMBL27581054 0.78 TRPV4 (0.34) MAPTTP53TRPV4SCDKMT2A
SCHEMBL1008694 0.77 TRPV4 (0.36) MAPTTP53TRPV4GAAKMT2A
SCHEMBL29403637 0.77 TRPV4 (0.36) MAPTTP53TRPV4GAAKMT2A
SCHEMBL6703562 0.76 MAPT (0.33) MAPTTP53TRPV4SCDALDH1A1

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