SCHEMBL6701378

SCHEMBL6701378

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

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPM1D O15297 1/20 0.36
TRPV4 Q9HBA0 6/20 0.36
SAE1 Q9UBE0 1/20 0.34
UBA2 Q9UBT2 1/20 0.34
ACKR3 P25106 1/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 2/20 0.33
PLTP P55058 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
THRB P10828 1/20 0.32
PDE4B Q07343 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ROCK2 O75116 1/20 0.32
TPH1 P17752 1/20 0.32
TPH2 Q8IWU9 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL6703576 0.94 MAPT (0.36) PPM1DTRPV4SAE1UBA2ACKR3
SCHEMBL27581687 0.93 PPM1D (0.36) PPM1DTRPV4ACKR3MAPTPLTP
SCHEMBL7092957 0.88 TRPV4 (0.36) TRPV4KMT2APOLBMAPTPLTP
SCHEMBL6701383 0.88 SAE1 (0.34) TRPV4SAE1UBA2KMT2APOLB
SCHEMBL6701375 0.86 ACKR3 (0.36) TRPV4SAE1UBA2ACKR3KMT2A
SCHEMBL6700555 0.85 TRPV4 (0.35) TRPV4SAE1UBA2KMT2AMAPT
SCHEMBL27598406 0.81 PLTP (0.41) TRPV4KMT2APOLBMAPTPLTP
SCHEMBL1008694 0.80 TRPV4 (0.36) TRPV4SAE1KMT2AMAPTPLTP
SCHEMBL6698972 0.80 TRPV4 (0.34) TRPV4SAE1MAPTPLTPALDH1A1
SCHEMBL7686591 0.79 TRPV4 (0.36) TRPV4KMT2AMAPTPLTPSMN1; SMN2

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