SCHEMBL9622237

SCHEMBL9622237

COc1ccc(CSC2CCN(CCC(C)(C)Sc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)CC2)c(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT1B Q92523 1/20 0.54
TDP1 Q9NUW8 1/20 0.42
QRFPR Q96P65 8/20 0.35
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
APOBEC3G Q9HC16 2/20 0.34
APOBEC3A P31941 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33
MAOA P21397 1/20 0.33
ACHE P22303 1/20 0.33
MAOB P27338 1/20 0.33
PKM P14618 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
SCHEMBL9622860 0.88 CPT1B (0.50) CPT1BTDP1QRFPRCYP1A2CHRM2
SCHEMBL9623027 0.86 CPT1B (0.74) CPT1BTDP1QRFPRCYP1A2CHRM2
SCHEMBL9015974 0.85 CPT1B (0.73) CPT1BTDP1CYP1A2CHRM2SLC6A4
SCHEMBL9622863 0.85 CPT1B (0.57) CPT1BTDP1QRFPRMEN1KMT2A
SCHEMBL9622314 0.84 CPT1B (0.69) CPT1BTDP1QRFPRCHRM2MEN1
SCHEMBL9623012 0.84 CPT1B (0.56) CPT1BTDP1QRFPRMEN1KMT2A
SCHEMBL9622223 0.83 CPT1B (0.56) CPT1BTDP1CYP1A2MEN1KMT2A
SCHEMBL9366603 0.83 CPT1B (0.55) CPT1BTDP1CYP1A2CHRM2SLC6A4
SCHEMBL9622218 0.82 CPT1B (0.54) CPT1BTDP1QRFPRCYP1A2CHRM2
SCHEMBL9622298 0.81 CPT1B (0.53) CPT1BTDP1QRFPRCYP1A2CHRM2

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