SCHEMBL9623016

SCHEMBL9623016

COc1ccc(CSC2CCN(CCCC3(C)CCc4c(C)c(O)c(C)c(C)c4O3)CC2)c(OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.42
MAPT P10636 3/20 0.41
LMNA P02545 3/20 0.41
USP2 O75604 2/20 0.41
CYP2C9 P11712 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
GSTP1 P09211 1/20 0.41
TTPA P49638 1/20 0.41
THRB P10828 1/20 0.41
CYP2C19 P33261 1/20 0.41
NR1I2 O75469 2/20 0.40
ALOX5 P09917 4/20 0.39
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
THPO P40225 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL9622243 0.95 CYP4F2 (0.40) CYP4F2MAPTLMNAUSP2CYP2C9
SCHEMBL9622246 0.91 USP2 (0.45) CYP4F2MAPTLMNAUSP2CYP2C9
SCHEMBL9563644 0.78 CPT1B (0.47) LMNAKMT2AMEN1CYP2C19TP53
SCHEMBL9622306 0.74 ALOX5 (0.47) LMNAKMT2AMEN1ALOX5CPT1B
SCHEMBL10346385 0.74 CHRM2 (0.45) LMNAKMT2AMEN1CYP2C19TP53
SCHEMBL9367495 0.71 CPT1B (0.46) LMNAKMT2AMEN1TSHRCPT1B
SCHEMBL9622667 0.69 CPT1B (0.40) KMT2AMEN1ALOX5CPT1B
SCHEMBL9623012 0.69 CPT1B (0.56) MAPTLMNAKMT2AMEN1THRB
SCHEMBL10346381 0.68 MEN1 (0.43) CYP4F2MAPTLMNAUSP2CYP2C9
SCHEMBL8541237 0.68 CYP2C19 (0.43) LMNAKMT2AMEN1CYP2C19TP53

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-5126356-A Antiischemic agents ADIR ET COMPAGNIE (FR) 1992-06-30 US disclosed