SCHEMBL28191670

SCHEMBL28191670

CN(Cc1cccc(C(F)(F)F)c1)c1ccccc1C=CC(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 1/20 0.44
▸ GRIN1 Q05586 1/20 0.42
▸ GRIN2B Q13224 1/20 0.42
▸ EPHX1 P07099 4/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HIF1A Q16665 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ MAOB P27338 1/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ NR3C1 P04150 1/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ OPRL1 P41146 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40

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
SCHEMBL18046173 0.87 HDAC8 (0.45) ALDH1A1MEN1KMT2AHIF1AMAOB
SCHEMBL18047214 0.87 NR1H4 (0.46) ALDH1A1MEN1KMT2AHIF1ALMNA
SCHEMBL18047212 0.87 NR1H4 (0.46) ALDH1A1MEN1KMT2AHIF1ALMNA
SCHEMBL18046176 0.87 HDAC8 (0.45) ALDH1A1MEN1KMT2AHIF1AMAOB
SCHEMBL28192361 0.86 EPHX1 (0.45) TRPM8GRIN1GRIN2BEPHX1ALDH1A1
SCHEMBL18046072 0.74 HDAC8 (0.43) LMNAMAPTNR3C1OPRM1SLC6A2
SCHEMBL18046069 0.74 HDAC8 (0.43) LMNAMAPTNR3C1OPRM1SLC6A2
SCHEMBL29608620 0.74 HDAC8 (0.43) LMNAMAPTNR3C1OPRM1SLC6A2
SCHEMBL6410982 0.71 HDAC6 (0.56) EPHX1ALDH1A1MEN1KMT2AMAOB
SCHEMBL28191719 0.71 OPRM1 (0.44) MEN1KMT2ALMNAMAPTNR3C1

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-107531660-A α cinnamide compounds and composition as HDAC8 inhibitor 福马治疗股份有限公司 2018-01-02 — — CN claimed
CN-107531660-A α cinnamide compounds and composition as HDAC8 inhibitor 福马治疗股份有限公司 2018-01-02 — — CN disclosed
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