SCHEMBL7110776

SCHEMBL7110776

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.47
ALDH1A1 P00352 3/20 0.41
ESR1 P03372 1/20 0.41
CYP3A4 P08684 1/20 0.41
ESR2 Q92731 1/20 0.41
LMNA P02545 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
LTB4R2 Q9NPC1 2/20 0.40
MLYCD O95822 1/20 0.40
CYP1A1 P04798 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.38
KMT2A Q03164 1/20 0.37
CA2 P00918 1/20 0.37
CAMK2A Q9UQM7 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
RXRA P19793 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 0.86 FOLH1 (0.47) FOLH1ALDH1A1LMNARAB9AKDM4E
SCHEMBL5555256 0.86 KDM4E (0.51) FOLH1ALDH1A1CYP3A4LMNAKDM4E
SCHEMBL11233838 0.85 FOLH1 (0.46) FOLH1ALDH1A1LMNAKDM4EPOLB
SCHEMBL11233840 0.85 FOLH1 (0.46) FOLH1ALDH1A1LMNAKDM4EPOLB
SCHEMBL7110802 0.85 FOLH1 (0.46) FOLH1ALDH1A1CYP3A4LMNAKDM4E
SCHEMBL1114895 0.85 ALDH1A1 (0.49) FOLH1ALDH1A1LMNARAB9AKDM4E
Water SCHEMBL11228747 0.83 FOLH1 (0.45) FOLH1ALDH1A1LMNARAB9AKDM4E
Water SCHEMBL11228751 0.83 FOLH1 (0.45) FOLH1ALDH1A1LMNAKDM4EPOLB
SCHEMBL1114847 0.83 FOLH1 (0.47) FOLH1ALDH1A1LMNARAB9AKDM4E
SCHEMBL1114990 0.81 FOLH1 (0.46) FOLH1ALDH1A1LMNARAB9AKMT2A

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