SCHEMBL7108896

SCHEMBL7108896

Nc1ccc(NC(=O)CCCC(=O)O)c(-c2cccs2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.51
▸ NCOA2 Q15596 1/20 0.51
▸ NCOA1 Q15788 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ GAA P10253 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ HDAC1 Q13547 7/20 0.41
▸ HDAC2 Q92769 5/20 0.41
▸ HDAC3 O15379 5/20 0.41
▸ EPHB4 P54760 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL7110207 0.87 PPARG (0.52) PPARGNCOA2NCOA1HIF1AGAA
SCHEMBL7111223 0.81 SOAT1 (0.51) GAAKMT2AKDM4ETDP1HDAC1
SCHEMBL7108870 0.79 PPARG (0.51) PPARGNCOA2NCOA1HIF1AKMT2A
SCHEMBL7104681 0.75 ALDH1A1 (0.53) GAAKMT2AKDM4ETDP1MEN1
SCHEMBL7110800 0.74 KMT2A (0.58) GAAKMT2AKDM4ETDP1HDAC1
SCHEMBL7104656 0.73 TDP1 (0.50) GAAKMT2AKDM4ETDP1HDAC1
SCHEMBL7812171 0.71 ALDH1A1 (0.41) GAAKMT2AKDM4ETDP1HDAC1
SCHEMBL7812474 0.70 LTA4H (0.41) GAAKMT2AKDM4ETDP1HDAC1
SCHEMBL7805982 0.70 ADORA1 (0.43) GAAKDM4ETDP1HDAC1HDAC2
Hydrochloric Acid SCHEMBL7805948 0.69 ADORA1 (0.43) GAAKDM4ETDP1HDAC1HDAC2

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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