SCHEMBL3971880

SCHEMBL3971880

CCc1cc(OC)c(NCCO)cc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 3/20 0.44
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
TNF P01375 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
KDR P35968 1/20 0.37
JAK3 P52333 1/20 0.37
AURKB Q96GD4 1/20 0.37
TAAR1 Q96RJ0 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 1/20 0.36
GBA1 P04062 1/20 0.36
TRPV1 Q8NER1 3/20 0.35
TSHR P16473 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL9275259 0.82 CYP3A4 (0.46) KDM4ESMN1; SMN2ALDH1A1CYP3A4
SCHEMBL687380 0.81 TUBB4A (0.40) KDM4EGLATNFKDRHTT
SCHEMBL4667225 0.81 TSHR (0.39) KDM4EGLASMN1; SMN2TSHRMEN1
SCHEMBL454595 0.79 TNF (0.44) KDM4EGLATNFHTTGBA1
Hydrochloric Acid SCHEMBL9192756 0.79 TUBB4A (0.43) KDM4EGLATNFKDRHTT
SCHEMBL7251136 0.78 HTT (0.42) KDM4EGLASMN1; SMN2HTTTSHR
SCHEMBL4669924 0.77 KDM4E (0.41) KDM4EGLASMN1; SMN2MEN1ALDH1A1
SCHEMBL4668120 0.76 MEN1 (0.53) KDM4EGLAKDRAURKBMEN1
SCHEMBL7254543 0.76 RECQL (0.47) KDM4ESMN1; SMN2TSHRALDH1A1CYP1A2
SCHEMBL4668106 0.76 ALDH1A1 (0.43) KDM4EGLAMEN1ALDH1A1CYP1A2

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-2033625-A1 ONE-PACK HAIR DYE COMPOSITION Kao Corporation (JP) 2009-03-11 EP disclosed