SCHEMBL16346757

SCHEMBL16346757

CCOC(=O)[C@H](CC(C)(C)F)NC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CAD P27708 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ TACR1 P25103 1/20 0.37
▸ MMP8 P22894 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ THRB P10828 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ THPO P40225 1/20 0.35
▸ RECQL P46063 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
SCHEMBL20166210 0.82 MMP8 (0.41) CADL3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL23693345 0.82 MMP8 (0.41) CADL3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL16376523 0.82 CYP1A2 (0.58) CYP1A2CYP2C9CYP2C19HTTALDH1A1
SCHEMBL3898983 0.77 L3MBTL1 (0.50) CADL3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL16376524 0.77 CTSL (0.51) KMT2ASMN1; SMN2
SCHEMBL14066058 0.76 KMT2A (0.43) CADL3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL14066055 0.76 KMT2A (0.43) CADL3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL6001470 0.76 CAD (0.44) CADL3MBTL1KMT2APOLBTACR1
SCHEMBL6001474 0.76 CAD (0.44) CADL3MBTL1KMT2APOLBTACR1
SCHEMBL3211529 0.74 CTSL (0.56) ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015000076-A9 PHOTOCHEMICAL PROCESS FOR THE FLUORINATION OF AN ORGANIC COMPOUND HAVING AN UNACTIVATED SP3 C-H BOND ALECTOS THERAPEUTICS INC. (CA) 2015-08-06 — — WO claimed
WO-2015000076-A1 PHOTOCHEMICAL PROCESS FOR THE FLUORTNATION OF AN ORGANIC COMPOUND HAVING AN UNACTIVATED SP3 C-H BOND ALECTOS THERAPEUTICS INC. (CA) 2015-01-08 — — WO claimed
WO-2015000076-A9 PHOTOCHEMICAL PROCESS FOR THE FLUORINATION OF AN ORGANIC COMPOUND HAVING AN UNACTIVATED SP3 C-H BOND ALECTOS THERAPEUTICS INC. (CA) 2015-08-06 — — WO disclosed
WO-2015000076-A9 PHOTOCHEMICAL PROCESS FOR THE FLUORINATION OF AN ORGANIC COMPOUND HAVING AN UNACTIVATED SP3 C-H BOND ALECTOS THERAPEUTICS INC. (CA) 2015-08-06 — — WO disclosed
WO-2015000076-A1 PHOTOCHEMICAL PROCESS FOR THE FLUORTNATION OF AN ORGANIC COMPOUND HAVING AN UNACTIVATED SP3 C-H BOND ALECTOS THERAPEUTICS INC. (CA) 2015-01-08 — — WO disclosed
WO-2015000076-A1 PHOTOCHEMICAL PROCESS FOR THE FLUORTNATION OF AN ORGANIC COMPOUND HAVING AN UNACTIVATED SP3 C-H BOND ALECTOS THERAPEUTICS INC. (CA) 2015-01-08 — — WO disclosed
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