SCHEMBL6654083

SCHEMBL6654083

CCCCC(C)c1cc2cc(O)ccc2o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
CASP1 P29466 1/20 0.43
BRCA1 P38398 1/20 0.43
CASP7 P55210 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALOX15 P16050 1/20 0.42
FLT3 P36888 1/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
MAOB P27338 3/20 0.41
MAOA P21397 3/20 0.41
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
MCL1 Q07820 1/20 0.39

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
SCHEMBL9750010 0.77 GAA (0.53) KDM4EALDH1A1LMNAGLAGAA
SCHEMBL1687727 0.75 CYP2D6 (0.48) LMNAGAAMAOBMAOA
SCHEMBL2330441 0.73 ALOX15 (0.58) KDM4EALDH1A1LMNAGLAGAA
SCHEMBL24352389 0.72 TSHR (0.49) KDM4EALDH1A1SMN1; SMN2HSD17B10MAOB
SCHEMBL12965377 0.72 FLT3 (0.44) KDM4EALDH1A1HSD17B10FLT3MAOB
SCHEMBL2271571 0.71 ALOX15 (0.63) KDM4EALDH1A1LMNAGLAGAA
SCHEMBL21475695 0.71 MAOB (0.48) KDM4EALDH1A1LMNAGLAGAA
SCHEMBL1687709 0.70
SCHEMBL7799415 0.70 KDM4E (0.54) KDM4EALDH1A1LMNAGLAGAA
SCHEMBL25101045 0.70 ADAM17 (0.42)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1428510-A1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a heterocyclic coupler or a hydroxybenzamide ; method and use L'OREAL (FR) 2004-06-16 EP claimed
EP-1428510-A1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a heterocyclic coupler or a hydroxybenzamide ; method and use L'OREAL (FR) 2004-06-16 EP disclosed