SCHEMBL9022765

SCHEMBL9022765

OC1(c2ccccc2)CCCC(O)(c2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 8/20 0.48
OPRM1 P35372 5/20 0.48
OPRK1 P41145 5/20 0.48
OPRD1 P41143 3/20 0.44
AKR1C1 Q04828 1/20 0.43
POLB P06746 1/20 0.43
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
HSD11B1 P28845 1/20 0.40
SIGMAR1 Q99720 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
SCHEMBL1724862 0.90 OPRL1 (0.57) OPRL1OPRM1OPRK1OPRD1AKR1C1
Ammonia Solution, Strong SCHEMBL29195223 0.88 OPRL1 (0.55) OPRL1OPRM1OPRK1OPRD1AKR1C1
SCHEMBL1109741 0.85 OPRL1 (0.57) OPRL1OPRM1OPRK1OPRD1AKR1C1
SCHEMBL34468465 0.85 OPRL1 (0.50) OPRL1OPRM1OPRK1OPRD1POLB
SCHEMBL60129 0.83 OPRL1 (0.55) OPRL1OPRM1OPRK1OPRD1AKR1C1
SCHEMBL1040024 0.83 OPRL1 (0.55) OPRL1OPRM1OPRK1OPRD1AKR1C1
Hydrogen Peroxide SCHEMBL14842577 0.83 OPRL1 (0.55) OPRL1OPRM1OPRK1OPRD1AKR1C1
SCHEMBL29195226 0.83 OPRL1 (0.55) OPRL1OPRM1OPRK1OPRD1AKR1C1
SCHEMBL4556223 0.83 OPRL1 (0.55) OPRL1OPRM1OPRK1OPRD1AKR1C1
SCHEMBL16469256 0.83 OPRL1 (0.55) OPRL1OPRM1OPRK1OPRD1AKR1C1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8259480-A None JP disclosed
JP-H08259480-A CYCLOALKANE-1,3-DIOL NEW HOST COMPOUND ASAHI CHEM IND CO LTD 1996-10-08 JP disclosed