SCHEMBL7865951

SCHEMBL7865951

Nc1cc(Cl)ccc1CCO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.48
ALOX15 P16050 3/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 3/20 0.48
ALOX12 P18054 2/20 0.48
MAPK1 P28482 2/20 0.48
HSD17B10 Q99714 1/20 0.48
CYP3A4 P08684 5/20 0.48
TSHR P16473 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
TP53 P04637 1/20 0.46
IDO1 P14902 7/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 1/20 0.38
ABL1 P00519 1/20 0.38
HTT P42858 3/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
SLC22A1 O15245 1/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL29684504 1.00 SMN1; SMN2 (0.48) SMN1; SMN2ALOX15ALDH1A1HPGDALOX12
SCHEMBL11778076 0.87 CYP3A4 (0.56) SMN1; SMN2ALOX15ALDH1A1HPGDALOX12
SCHEMBL12505462 0.86 ALDH1A1 (0.44) SMN1; SMN2ALOX15ALDH1A1HPGDALOX12
SCHEMBL5107799 0.83 CYP3A4 (0.48) SMN1; SMN2ALOX15ALDH1A1HPGDALOX12
SCHEMBL1373616 0.83 CYP3A4 (0.52) SMN1; SMN2ALOX15ALDH1A1HPGDALOX12
SCHEMBL28227543 0.81 CYP3A4 (0.50) SMN1; SMN2ALOX15ALDH1A1HPGDALOX12
SCHEMBL13245880 0.81 TSHR (0.50) SMN1; SMN2ALOX15ALDH1A1HPGDALOX12
SCHEMBL3788457 0.79 CYP3A4 (0.48) SMN1; SMN2ALOX15ALDH1A1HPGDALOX12
SCHEMBL534867 0.79 CYP3A4 (0.48) SMN1; SMN2ALOX15ALDH1A1HPGDALOX12
SCHEMBL29835039 0.78 CASP1 (0.39) ALOX15ALDH1A1HPGDMAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107548301-A Contain composition of the menthol as soothing agent 西姆莱斯股份公司 2018-01-05 CN disclosed
US-6306179-B1 FOR DYEING HAIR L'OREAL S.A. (FR) 2001-10-23 US disclosed
EP-0911317-B1 Process for the preparation of 2-hydroyalkyl paraphenylenediamines, novel 2-hydroxyalkyl paraphenylenediamines, their use for oxydative dyeing, dye compositions and dyeing processes OREAL (FR) 2000-09-13 EP disclosed
EP-0911317-A1 Process for the preparation of 2-hydroyalkyl paraphenylenediamines, novel 2-hydroxyalkyl paraphenylenediamines, their use for oxydative dyeing, dye compositions and dyeing processes L'OREAL (FR) 1999-04-28 EP disclosed
EP-0863739-A2 HAIR DYE Wella Aktiengesellschaft (DE) 1998-09-16 EP disclosed
WO-1998011863-A2 HAIR DYE WELLA AKTIENGESELLSCHAFT (DE) 1998-03-26 WO disclosed