SCHEMBL21496090

SCHEMBL21496090

CC(O)(C(=O)c1ccccc1)C(c1ccccc1)C1(O)CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 1/20 0.40
CHRM2 P08172 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
CHRM4 P08173 1/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
SRC P12931 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
CES1 P23141 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD11B1 P28845 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 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
SCHEMBL6942516 0.72 SLC6A2 (0.42) SLC6A2SLC6A4CHRM2CHRM1CHRM3
SCHEMBL2767076 0.71 CES1 (0.41) LMNASRCCES1KMT2AHSD11B1
SCHEMBL1493258 0.70 LMNA (0.51) SLC6A2SLC6A4SLC6A3CHRM2CHRM1
SCHEMBL14797346 0.70 SRC (0.38) LMNASRCCES1KMT2AHSD11B1
SCHEMBL6699073 0.69 CES1 (0.50) LMNASMN1; SMN2SRCCES1CYP1A2
SCHEMBL1408838 0.68 CHRM2 (0.56) SLC6A2SLC6A4SLC6A3CHRM2CHRM1
SCHEMBL6433697 0.68 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3CHRM2CHRM1
SCHEMBL28927679 0.68 CYP2C19 (0.52) SRCOPRM1CES1KMT2AHSD11B1
SCHEMBL4345905 0.68 MAPK1 (0.44) CHRM2CHRM1CHRM3CHRM4LMNA
SCHEMBL4345901 0.68 MAPK1 (0.44) CHRM2CHRM1CHRM3CHRM4LMNA

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
WO-2019202796-A1 POLYMER HAVING REACTIVE SILICON-CONTAINING GROUP AND PRODUCTION METHOD THEREFOR 信越化学工業株式会社 2019-10-24 WO disclosed