SCHEMBL4053905

SCHEMBL4053905

Nc1cc(Cl)cc(N)c1CCO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
ALOX15 P16050 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP3A4 P08684 6/20 0.38
TSHR P16473 4/20 0.37
TDP1 Q9NUW8 1/20 0.37
TP53 P04637 2/20 0.36
GAA P10253 1/20 0.32
NR4A2 P43354 1/20 0.31
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
PKM P14618 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL23831996 0.89 CYP3A4 (0.37) ALDH1A1ALOX15SMN1; SMN2HPGDALOX12
SCHEMBL18421930 0.80 KDM4E (0.31) ALDH1A1TDP1GAAMEN1MAPT
SCHEMBL3415768 0.75 ALDH1A1 (0.43) ALDH1A1ALOX15SMN1; SMN2HPGDALOX12
SCHEMBL14953385 0.74 CYP3A4 (0.39) ALDH1A1ALOX15SMN1; SMN2HPGDALOX12
SCHEMBL30104970 0.74 CYP3A4 (0.39) ALDH1A1ALOX15SMN1; SMN2HPGDALOX12
SCHEMBL6574499 0.72 ALDH1A1 (0.39) ALDH1A1ALOX15SMN1; SMN2CYP3A4TSHR
SCHEMBL23647915 0.71 ERN1 (0.36) ALDH1A1SMN1; SMN2CYP3A4TSHRMEN1
SCHEMBL19126573 0.71 MEN1 (0.35) ALDH1A1ALOX15CYP3A4TSHRGAA
SCHEMBL7865951 0.71 SMN1; SMN2 (0.48) ALDH1A1ALOX15SMN1; SMN2HPGDALOX12
SCHEMBL29684504 0.71 SMN1; SMN2 (0.48) ALDH1A1ALOX15SMN1; SMN2HPGDALOX12

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-2022488-A1 Colouring composition KPSS-Kao Professional Salon Services GmbH (DE) 2009-02-11 EP disclosed