SCHEMBL27863064

SCHEMBL27863064

CCN(C(=O)C(C)C)c1cc(-c2ccccc2)cc(C(=O)O)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 3/20 0.43
▸ PTPN2 P17706 1/20 0.43
▸ PTPN6 P29350 1/20 0.43
▸ LTB4R2 Q9NPC1 1/20 0.42
▸ EZH2 Q15910 1/20 0.42
▸ AKR1C2 P52895 3/20 0.40
▸ AKR1C1 Q04828 3/20 0.40
▸ PTGS1 P23219 1/20 0.38
▸ AKR1C4 P17516 1/20 0.38
▸ AKR1C3 P42330 1/20 0.38
▸ ACMSD Q8TDX5 2/20 0.37
▸ DHODH Q02127 1/20 0.37
▸ DHFR P00374 1/20 0.37
▸ HNF4A P41235 1/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ DCLRE1A Q6PJP8 1/20 0.37
▸ DCLRE1B Q9H816 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37

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
SCHEMBL27863055 0.87 AKR1C2 (0.44) PTPN1PTPN2PTPN6LTB4R2EZH2
SCHEMBL27879331 0.84 PTGS1 (0.56) LTB4R2EZH2PTGS1ALDH1A1MAPT
SCHEMBL27879325 0.83 AKR1C2 (0.43) PTPN1PTPN2PTPN6LTB4R2AKR1C2
SCHEMBL27879330 0.81 BACE1 (0.36) PTPN1EZH2PTGS1ALDH1A1MAPT
SCHEMBL27985131 0.75 AKR1C2 (0.43) PTPN1PTPN2PTPN6LTB4R2EZH2
SCHEMBL27786187 0.73 PTPN1 (0.58) PTPN1PTPN2PTPN6AKR1C2AKR1C1
SCHEMBL27863063 0.72 AKR1C2 (0.46) PTPN1PTPN2PTPN6AKR1C2AKR1C1
SCHEMBL18765958 0.69 ALDH1A1 (0.66) LTB4R2ALDH1A1KDM4EGLATSHR
SCHEMBL14784538 0.69 PTPN1 (0.53) PTPN1PTPN2PTPN6AKR1C2AKR1C1
SCHEMBL27802682 0.69 PTPN1 (0.46) PTPN1PTPN2PTPN6AKR1C2AKR1C1

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-102574778-A Novel biphenyl and phenyl-pyridine amides HOFFMANN LA ROCHE 2012-07-11 — — CN claimed
CN-102574778-A Novel biphenyl and phenyl-pyridine amides HOFFMANN LA ROCHE 2012-07-11 — — CN disclosed
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