SCHEMBL24130759

SCHEMBL24130759

CCOC(=O)CNC(=O)C(CNC(=O)OC(C)(C)C)NC(=O)CNC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ CTSK P43235 6/20 0.42
▸ CTSS P25774 4/20 0.41
▸ CAPN1 P07384 1/20 0.40
▸ CTSL P07711 1/20 0.40
▸ CTSB P07858 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ SYK P43405 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ SERPINE1 P05121 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 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
SCHEMBL24130735 0.88 CTSS (0.42) CTSKCTSSCAPN1CTSLCTSB
SCHEMBL24130761 0.85 CYP1A2 (0.45) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL14586331 0.82 CYP1A2 (0.52) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL24130603 0.81 KLK5 (0.41) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL6355605 0.80 GAA (0.54) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL8883473 0.80 CYP1A2 (0.53) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL18495336 0.80 CTSS (0.56) CTSKCTSSCTSLCTSB
SCHEMBL18429598 0.80 CTSS (0.56) CTSKCTSSCTSLCTSB
SCHEMBL1936376 0.80 ALDH1A1 (0.52) CYP1A2CYP2C9CYP2C19HTTCTSK
SCHEMBL27800430 0.80 CTSK (0.43) CYP1A2CYP2C9CYP2C19HTTCTSK

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
WO-2021256546-A1 METHOD FOR INDUCING ENVIRONMENTAL STRESS TOLERANCE IN PLANTS 味の素株式会社 2021-12-23 — — WO disclosed
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