SCHEMBL30945787

SCHEMBL30945787

CCCCC1(CCCC)CCC(C)(O)CC1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31
PRKCA P17252 3/20 0.31
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
S1PR5 Q9H228 1/20 0.30

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
SCHEMBL30945823 0.85
SCHEMBL31311142 0.80 PRKCA (0.32) PRKCA
SCHEMBL23183040 0.79 TSHR (0.33)
SCHEMBL30945804 0.79 OPRM1 (0.33) OPRM1OPRD1OPRK1OPRL1
SCHEMBL2807710 0.76 TSHR (0.41)
SCHEMBL8921246 0.74 TSHR (0.33)
SCHEMBL30945808 0.74
SCHEMBL25392643 0.74 TSHR (0.33)
SCHEMBL1934097 0.74
SCHEMBL28008290 0.74 TSHR (0.47)

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
CN-118382612-A Method for producing blocked isocyanate compound and method for producing isocyanate compound 旭化成株式会社 2024-07-23 CN disclosed