SCHEMBL28757465

SCHEMBL28757465

COC(=O)C1(CCc2ccccc2)CCCC1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 3/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
OPRM1 P35372 2/20 0.39
OPRL1 P41146 2/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FKBP1A P62942 1/20 0.38
KCNA3 P22001 1/20 0.38
LMNA P02545 2/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL27635054 0.91 ADAM17 (0.40) ADAM17CYP2C9CYP2C19OPRM1OPRL1
SCHEMBL27634704 0.88 LMNA (0.47) OPRM1ALDH1A1MAPTKDM4ELMNA
SCHEMBL27634553 0.88 ALDH1A1 (0.41) ADAM17CYP2C9CYP2C19OPRM1OPRL1
SCHEMBL27635047 0.88 ADAM17 (0.42) ADAM17CYP2C9CYP2C19OPRM1OPRL1
SCHEMBL27634682 0.87 ALDH1A1 (0.40) ADAM17CYP2C9CYP2C19OPRM1OPRL1
SCHEMBL27655523 0.87 CYP2C9 (0.39) ADAM17CYP2C9CYP2C19OPRM1OPRL1
SCHEMBL4806319 0.87 ALDH1A1 (0.39) ADAM17OPRM1ALDH1A1MAPTKDM4E
SCHEMBL27655524 0.86 ALDH1A1 (0.40) CYP2C9CYP2C19OPRM1OPRL1ALDH1A1
SCHEMBL27634698 0.86 AKT1 (0.40) ADAM17CYP2C9CYP2C19ALDH1A1
SCHEMBL4810012 0.85 CHRNA7 (0.43) OPRM1ALDH1A1MAPTKDM4ESMN1; SMN2

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
CN-100348571-C 2-alkoxyl cyclopentyl ester compound, its synthesis method and application CHINA PETROLEUM & CHEMICAL (CN) 2007-11-14 CN disclosed
CN-1789234-A 2-alkoxyl cyclopentyl ester compound, its synthesis method and application CHINA PETROLEUM & CHEMICAL (CN) 2006-06-21 CN disclosed