SCHEMBL9623027

SCHEMBL9623027

COc1ccc(CSC2CCN(CCCSc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)CC2)c(OC)c1OC

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CPT1B Q92523 1/20 0.74
TDP1 Q9NUW8 1/20 0.59
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
QRFPR Q96P65 4/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
CACNA1G O43497 1/20 0.33
GAA P10253 1/20 0.33
CYP1A2 P05177 1/20 0.33
CHRM2 P08172 1/20 0.33
SLC6A4 P31645 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33

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
SCHEMBL9622314 0.97 CPT1B (0.69) CPT1BTDP1MEN1KMT2AQRFPR
SCHEMBL9622863 0.89 CPT1B (0.57) CPT1BTDP1MEN1KMT2AQRFPR
SCHEMBL9623012 0.88 CPT1B (0.56) CPT1BTDP1MEN1KMT2AQRFPR
SCHEMBL9622223 0.87 CPT1B (0.56) CPT1BTDP1MEN1KMT2AKDM4E
SCHEMBL9622237 0.86 CPT1B (0.54) CPT1BTDP1MEN1KMT2AQRFPR
SCHEMBL9622218 0.86 CPT1B (0.54) CPT1BTDP1MEN1KMT2AQRFPR
SCHEMBL2885813 0.85 CPT1B (1.00) CPT1BTDP1MEN1KMT2AKDM4E
SCHEMBL9622298 0.84 CPT1B (0.53) CPT1BTDP1MEN1KMT2AQRFPR
SCHEMBL9366603 0.83 CPT1B (0.55) CPT1BTDP1MEN1KMT2AKDM4E
SCHEMBL9622860 0.82 CPT1B (0.50) CPT1BTDP1MEN1KMT2AQRFPR

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