SCHEMBL6701763

SCHEMBL6701763

COC(=O)Cn1c(C(=O)Nc2nc(-c3cc(OC)c(Cl)cc3OC)c(CSC3CCCCC3)s2)cc2cc(C)cc(C)c21

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 3/20 0.32
MAPT P10636 5/20 0.32
TP53 P04637 4/20 0.32
LMNA P02545 1/20 0.32
SAE1 Q9UBE0 1/20 0.32
HTT P42858 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
QRFPR Q96P65 1/20 0.31
TSHR P16473 1/20 0.30
NPC1 O15118 1/20 0.30
CHRM4 P08173 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PI4KB Q9UBF8 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
SCHEMBL6703807 0.90 PLTP (0.39) TRPV4MAPTTP53LMNASAE1
SCHEMBL6698972 0.89 TRPV4 (0.34) TRPV4MAPTTP53LMNASAE1
SCHEMBL6702286 0.85 MAPT (0.32) MAPTTP53LMNASAE1HTT
SCHEMBL1008694 0.84 TRPV4 (0.36) TRPV4MAPTTP53LMNASAE1
SCHEMBL29403637 0.84 TRPV4 (0.36) TRPV4MAPTTP53LMNASAE1
SCHEMBL6700555 0.82 TRPV4 (0.35) TRPV4MAPTSAE1NPC1CHRM4
SCHEMBL7688594 0.82 TRPV4 (0.34) TRPV4MAPTTP53LMNASAE1
SCHEMBL226080 0.82 TRPV4 (0.32) TRPV4TP53PI4KB
Water SCHEMBL7685985 0.82 TRPV4 (0.33) TRPV4MAPTTP53LMNASAE1
Trifluoroacetic Acid SCHEMBL226079 0.81 TRPV4 (0.34) TRPV4MAPTTP53LMNASAE1

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
US-20040198793-A1 Chemical process and new intermediates SANOFI-SYNTHELABO (FR) 2004-10-07 US disclosed