SCHEMBL7108913

SCHEMBL7108913

Cc1cc(NC(=O)CCCC(=O)O)ccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.62
▸ ALDH1A1 P00352 5/20 0.58
▸ KMT2A Q03164 4/20 0.58
▸ MEN1 O00255 3/20 0.58
▸ CYP2C9 P11712 2/20 0.58
▸ CYP2C19 P33261 2/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CYP2D6 P10635 1/20 0.58
▸ KDM4E B2RXH2 1/20 0.57
▸ HPGD P15428 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ POLB P06746 2/20 0.56
▸ HDAC3 O15379 1/20 0.56
▸ HDAC4 P56524 1/20 0.56
▸ HDAC1 Q13547 1/20 0.56
▸ HDAC7 Q8WUI4 1/20 0.56
▸ HDAC2 Q92769 1/20 0.56
▸ HDAC10 Q969S8 1/20 0.56
▸ HDAC11 Q96DB2 1/20 0.56
▸ HDAC8 Q9BY41 1/20 0.56

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
SCHEMBL7813318 0.88 HDAC3 (0.72) GAAALDH1A1KMT2AMEN1CYP2C9
SCHEMBL7104358 0.85 KMT2A (0.59) GAAALDH1A1KMT2AMEN1CYP2C9
SCHEMBL7106419 0.84 KMT2A (0.57) GAAALDH1A1KMT2AMEN1CYP2C9
SCHEMBL8756319 0.84 ALDH1A1 (0.69) ALDH1A1CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL17620596 0.83 ALDH1A1 (0.77) GAAALDH1A1KMT2AMEN1CYP2C9
SCHEMBL10499564 0.82 HDAC3 (0.57) GAAALDH1A1KMT2AMEN1CYP2C9
SCHEMBL12325716 0.82 KDM4C (0.61) GAAALDH1A1KMT2AMEN1CYP2C9
SCHEMBL21665205 0.82 CYP2C9 (0.60) GAAALDH1A1KMT2AMEN1CYP2C9
SCHEMBL7107371 0.80 POLB (0.82) GAAALDH1A1KMT2AMEN1CYP2C9
SCHEMBL7825018 0.79 POLB (0.70) GAAALDH1A1KMT2AMEN1HSD17B10

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-1348700-A2 Composition and method for dyeing dye-susceptible material Wella Aktiengesellschaft (DE) 2003-10-01 — — EP disclosed
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