SCHEMBL27979574

SCHEMBL27979574

CCOC(=O)C1(C(=O)O)CCCCC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 11/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
OPRD1 P41143 4/20 0.38
OPRK1 P41145 4/20 0.38
SLC22A1 O15245 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
KCNH2 Q12809 1/20 0.38
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 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
SCHEMBL5107238 0.81 OPRM1 (0.41) OPRM1SMN1; SMN2OPRD1OPRK1SLC22A1
SCHEMBL783114 0.78 FFAR3 (0.43) SMN1; SMN2
Cyclohexane SCHEMBL6560747 0.76 FFAR3 (0.42) SMN1; SMN2POLB
SCHEMBL1479275 0.76 SMN1; SMN2 (0.38) OPRM1SMN1; SMN2OPRD1OPRK1SLC22A1
SCHEMBL5115722 0.74 POLB (0.44) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL30707055 0.74 OPRM1 (0.39) OPRM1SMN1; SMN2OPRD1OPRK1SLC22A1
SCHEMBL30142954 0.74 SMN1; SMN2 (0.41) OPRM1SMN1; SMN2OPRD1OPRK1SLC22A1
SCHEMBL11800203 0.74 FFAR3 (0.43) SMN1; SMN2
SCHEMBL1742398 0.73 SMN1; SMN2 (0.42) OPRM1SMN1; SMN2OPRD1OPRK1SLC22A1
SCHEMBL7369559 0.73 SMN1; SMN2 (0.42) OPRM1SMN1; SMN2OPRD1OPRK1SLC22A1

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-103980205-A N-3-sulfonyl ethylamine substituted-5-cyclopropane spiro-hydantoin derivative as well as preparation method and application thereof SYNCOM CHINA CO LTD WUHAN 2014-08-13 CN disclosed