SCHEMBL7110802

SCHEMBL7110802

CN(C(=O)CCCC(=O)O)c1ccc(N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.46
PPIB P23284 2/20 0.45
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 4/20 0.39
CYP3A4 P08684 2/20 0.39
MAPK1 P28482 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
MLYCD O95822 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
GAA P10253 2/20 0.37
MEN1 O00255 1/20 0.37
CASP1 P29466 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SLC22A6 Q4U2R8 1/20 0.37

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
SCHEMBL1114979 0.85 FOLH1 (0.47) FOLH1KMT2AALDH1A1LMNAKDM4E
SCHEMBL7110776 0.85 FOLH1 (0.47) FOLH1KMT2AALDH1A1CYP3A4LMNA
SCHEMBL5555256 0.84 KDM4E (0.51) FOLH1KMT2AALDH1A1CYP3A4MAPK1
SCHEMBL11233838 0.83 FOLH1 (0.46) FOLH1KMT2AALDH1A1LMNAKDM4E
SCHEMBL1114895 0.83 ALDH1A1 (0.49) FOLH1KMT2AALDH1A1LMNAKDM4E
SCHEMBL11233840 0.83 FOLH1 (0.46) FOLH1KMT2AALDH1A1LMNAKDM4E
SCHEMBL3528672 0.83 PHLPP2 (0.44) FOLH1PPIBKMT2AALDH1A1CYP3A4
Water SCHEMBL11228751 0.82 FOLH1 (0.45) FOLH1KMT2AALDH1A1LMNAKDM4E
SCHEMBL3530971 0.82 PHLPP2 (0.43) FOLH1PPIBALDH1A1CYP3A4MAPK1
Water SCHEMBL11228747 0.82 FOLH1 (0.45) FOLH1KMT2AALDH1A1LMNAKDM4E

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