SCHEMBL28477189

SCHEMBL28477189

Cc1ccc2c(c1)OCC(=O)O2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.50
ALDH1A1 P00352 3/20 0.43
ALDH2 P05091 1/20 0.43
MAPT P10636 3/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
TERT O14746 1/20 0.40
SIRT2 Q8IXJ6 6/20 0.39
NPC1 O15118 2/20 0.38
PLK1 P53350 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
CYP19A1 P11511 2/20 0.37
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL30043257 0.80 MMP12 (0.53) MMP12ALDH1A1MAPTTSHRHTT
SCHEMBL235690 0.80 MMP12 (0.53) MMP12ALDH1A1MAPTTSHRHTT
SCHEMBL13950591 0.77 FABP6 (0.40) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL31144420 0.77 SMN1; SMN2 (0.50) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL872737 0.76 MMP12 (0.49) MMP12ALDH1A1MAPTTSHRHTT
SCHEMBL29055813 0.75 KDM4E (0.57) ALDH1A1MAPTTSHRMEN1KMT2A
SCHEMBL30500733 0.75 KDM4E (0.57) ALDH1A1MAPTTSHRMEN1KMT2A
SCHEMBL25247984 0.74 MMP12 (0.40) MMP12ALDH1A1ALDH2TSHRHTT
SCHEMBL279547 0.73 ABCG2 (0.46) TSHRHTTNPC1RAB9ASMN1; SMN2
SCHEMBL29966720 0.73 ABCG2 (0.46) TSHRHTTNPC1RAB9ASMN1; SMN2

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
CN-111936608-A Musk composition 花王株式会社 2020-11-13 CN disclosed