SCHEMBL23169784

SCHEMBL23169784

CCC1(CCCc2ccccc2)COC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.44
POLB P06746 1/20 0.44
KDM4E B2RXH2 1/20 0.41
OPRM1 P35372 2/20 0.41
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD1 P21728 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
DRD3 P35462 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KCNH2 Q12809 1/20 0.41
OPRL1 P41146 1/20 0.40

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
SCHEMBL8018437 0.89 ALDH1A1 (0.38) OPRM1OPRL1
SCHEMBL29227998 0.80 KCNH2 (0.37) KCNH2
SCHEMBL29228003 0.80 MAOA (0.42) OPRM1OPRL1
SCHEMBL20652128 0.79 OPRM1 (0.38) SIGMAR1OPRM1CHRM2HTR1AADRA2A
SCHEMBL24299811 0.79 KCNH2 (0.39) SIGMAR1POLBOPRM1KCNH2OPRL1
SCHEMBL14216097 0.79 KCNH2 (0.37) KCNH2
SCHEMBL14256285 0.77 TDP1 (0.48) SIGMAR1
SCHEMBL14927407 0.76 MEN1 (0.38) POLBCHRM2CHRM1
SCHEMBL5850277 0.74 EPHX1 (0.36)
SCHEMBL13423717 0.74 ALOX5 (0.49) ADRA1ASLC6A3

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-2021057804-A1 CATIONIC CURING COMPOSITION FOR PLASTIC SUBSTRATE, COATING MATERIAL, PLASTIC PRODUCT AND APPLICATION 常州格林感光新材料有限公司 2021-04-01 WO disclosed