SCHEMBL28069675

SCHEMBL28069675

CCC(=O)OC1(C#N)CC(OCc2ccccc2)C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSK P43235 1/20 0.44
OPRM1 P35372 5/20 0.39
OPRD1 P41143 3/20 0.39
OPRK1 P41145 3/20 0.39
EPHX2 P34913 1/20 0.38
NAAA Q02083 5/20 0.38
OPRL1 P41146 2/20 0.38
ALDH1A1 P00352 4/20 0.36
MAPK1 P28482 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.36
DPP4 P27487 1/20 0.35
STS P08842 1/20 0.35

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
SCHEMBL27917553 0.81 OPRM1 (0.41) CTSLCTSBCTSKOPRM1OPRD1
SCHEMBL28231821 0.79 CTSL (0.45) CTSLCTSBCTSKOPRM1EPHX2
SCHEMBL23274961 0.76 CTSL (0.48) CTSLCTSBCTSKOPRM1NAAA
SCHEMBL18819598 0.75 CTSL (0.44) CTSLCTSBCTSKOPRM1EPHX2
SCHEMBL19601334 0.74 CTSL (0.51) CTSLCTSBCTSKOPRM1EPHX2
SCHEMBL24307075 0.74 CTSL (0.54) CTSLCTSBCTSKOPRM1EPHX2
SCHEMBL23364768 0.72 OPRM1 (0.46) CTSLCTSBCTSKOPRM1EPHX2
SCHEMBL1551563 0.72 OPRM1 (0.55) CTSLCTSBCTSKOPRM1EPHX2
SCHEMBL15927870 0.72 OPRM1 (0.43) CTSLCTSBCTSKOPRM1EPHX2
SCHEMBL20640207 0.72 CTSL (0.51) CTSLCTSBCTSKOPRM1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108348525-A The medical usage of oxipurinol class compound 广东众生药业股份有限公司 2018-07-31 CN disclosed
CN-107001371-A Oxipurinol class compound and its application 广东众生药业股份有限公司 2017-08-01 CN disclosed
CN-105566324-A Hydroxyl purine compound and application thereof GOOD DOCTOR PHARMACEUTICAL GROUP CO LTD 2016-05-11 CN disclosed