SCHEMBL7111208

SCHEMBL7111208

Nc1ccc(NC(=O)CCCC(=O)O)cc1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.63
▸ POLB P06746 2/20 0.63
▸ CYP2C9 P11712 2/20 0.58
▸ CYP2C19 P33261 2/20 0.58
▸ HPGD P15428 4/20 0.57
▸ L3MBTL1 Q9Y468 3/20 0.55
▸ MEN1 O00255 5/20 0.54
▸ KMT2A Q03164 5/20 0.54
▸ CASP3 P42574 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ EGFR P00533 1/20 0.48
▸ ERBB3 P21860 1/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ HDAC3 O15379 1/20 0.47
▸ HDAC4 P56524 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47

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
SCHEMBL7822933 0.86 L3MBTL1 (0.71) ALDH1A1POLBCYP2C9CYP2C19HPGD
SCHEMBL7109979 0.84 POLB (0.65) ALDH1A1POLBCYP2C9CYP2C19HPGD
SCHEMBL16817792 0.84 ALDH1A1 (0.56) ALDH1A1POLBCYP2C9CYP2C19HPGD
SCHEMBL7641553 0.83 NPC1 (0.58) ALDH1A1POLBCYP2C9CYP2C19HPGD
SCHEMBL7106419 0.82 KMT2A (0.57) ALDH1A1POLBCYP2C9CYP2C19HPGD
SCHEMBL5925628 0.82 ALDH1A1 (0.68) ALDH1A1CYP2C9HPGDL3MBTL1MEN1
SCHEMBL7106301 0.81 ALDH1A1 (0.54) ALDH1A1POLBCYP2C9CYP2C19HPGD
SCHEMBL9137517 0.80 GSTO1 (0.52) ALDH1A1CASP3MAPTHSD17B10NPSR1
SCHEMBL21698047 0.80 CYP3A4 (0.51) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL7108738 0.79 HDAC1 (0.54) ALDH1A1POLBHPGDL3MBTL1MEN1

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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