SCHEMBL18774374

SCHEMBL18774374

CCOC(=O)C(CSSCC)NC(=O)CC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ KMT2A Q03164 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ CYP2C9 P11712 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ CAD P27708 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ITGB1 P05556 1/20 0.36
▸ ITGA4 P13612 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ GAA P10253 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ PPID Q08752 1/20 0.35
▸ NOD1 Q9Y239 3/20 0.33

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
SCHEMBL5020136 0.84 L3MBTL1 (0.49) L3MBTL1KMT2APOLBCYP2C9CYP1A2
SCHEMBL14693833 0.82 ITGB1 (0.46) L3MBTL1CYP2C9ITGB1ITGA4
SCHEMBL14693834 0.82 ITGB1 (0.46) L3MBTL1CYP2C9ITGB1ITGA4
SCHEMBL2953807 0.79 CYP1A2 (0.44) L3MBTL1KMT2APOLBCYP2C9CYP1A2
SCHEMBL2953812 0.79 CYP1A2 (0.44) L3MBTL1KMT2APOLBCYP2C9CYP1A2
SCHEMBL2953811 0.79 CYP1A2 (0.44) L3MBTL1KMT2APOLBCYP2C9CYP1A2
SCHEMBL3701798 0.79 METAP2 (0.48) L3MBTL1KMT2APOLBCYP2C9CYP1A2
SCHEMBL7619001 0.79 METAP2 (0.48) L3MBTL1KMT2APOLBCYP2C9CYP1A2
SCHEMBL13097642 0.78 L3MBTL1 (0.58) L3MBTL1KMT2APOLBCYP2C9CYP1A2
SCHEMBL15865950 0.77 CAD (0.62) L3MBTL1KMT2APOLBCYP2C9CYP1A2

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
EP-2677995-B1 COMPOSITION FOR DYEING KERATIN FIBRES COMPRISING A DIRECT DYE BEARING A DISULFIDE/THIOL FUNCTION, A NONIONIC SURFACTANT, AN AMPHOTERIC SURFACTANT, AN ALKALINE AGENT AND A REDUCING AGENT L'ORÉAL (FR) 2017-04-26 — — EP disclosed
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