SCHEMBL9622667

SCHEMBL9622667

COc1ccc(CSC2CCN(CCC(C)(C)Oc3cc(C)c(O)c(C)c3C)CC2)c(OC)c1OC

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CPT1B Q92523 1/20 0.40
CYP1A2 P05177 1/20 0.35
CHRM2 P08172 1/20 0.35
SLC6A4 P31645 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
APOBEC3A P31941 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
QRFPR Q96P65 8/20 0.33
ALOX5 P09917 5/20 0.33
CACNA1G O43497 1/20 0.31

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
SCHEMBL9622306 0.85 ALOX5 (0.47) CPT1BMEN1KMT2AALOX5
SCHEMBL9622860 0.84 CPT1B (0.50) CPT1BCYP1A2CHRM2SLC6A4OPRD1
SCHEMBL9622605 0.82 CPT1B (0.37) CPT1BCYP1A2CHRM2SLC6A4OPRD1
SCHEMBL9622237 0.77 CPT1B (0.54) CPT1BCYP1A2CHRM2SLC6A4OPRD1
SCHEMBL9623012 0.75 CPT1B (0.56) CPT1BMEN1KMT2AQRFPR
SCHEMBL9622863 0.74 CPT1B (0.57) CPT1BMEN1KMT2AQRFPR
SCHEMBL9366603 0.74 CPT1B (0.55) CPT1BCYP1A2CHRM2SLC6A4OPRD1
SCHEMBL9367495 0.74 CPT1B (0.46) CPT1BMEN1KMT2A
SCHEMBL9623027 0.74 CPT1B (0.74) CPT1BCYP1A2CHRM2SLC6A4OPRD1
SCHEMBL9622223 0.73 CPT1B (0.56) CPT1BCYP1A2MEN1KMT2A

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