SCHEMBL29112397

SCHEMBL29112397

CCOC(=O)CC1(c2cccc(CO)c2)COC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
PPID Q08752 1/20 0.36
CYP4F2 P78329 5/20 0.36
CYP4A11 Q02928 5/20 0.36
ALDH1A1 P00352 1/20 0.35
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL29682363 1.00 GAA (0.46) GAAPPIDCYP4F2CYP4A11ALDH1A1
SCHEMBL2675634 0.84 GAA (0.46) GAAALDH1A1KDM4ENPSR1
SCHEMBL25288068 0.83 GAA (0.62) GAAPPIDALDH1A1KMT2ANPSR1
SCHEMBL30626434 0.81 TSHR (0.39) KMT2ACNR2
SCHEMBL29112417 0.81 TSHR (0.39) KMT2ACNR2
SCHEMBL21199802 0.80 GAA (0.46) GAAALDH1A1PPARGKMT2AKDM4E
SCHEMBL31115334 0.80 GAA (0.46) GAAALDH1A1PPARGKMT2AKDM4E
SCHEMBL29112505 0.78 CREBBP (0.40) GAAALDH1A1KMT2AKDM4ECNR2
SCHEMBL29682361 0.78 CREBBP (0.40) GAAALDH1A1KMT2AKDM4ECNR2
SCHEMBL15229445 0.76 GAA (0.48) GAAALDH1A1CA12CA2CA7

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-116829532-A Substituted cyclohexane carboxamides, their preparation and their therapeutic use 赛诺菲 2023-09-29 CN disclosed