SCHEMBL28796708

SCHEMBL28796708

O=COC(=O)/C=C\C(=O)Oc1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.50
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 3/20 0.50
GAA P10253 2/20 0.50
PGR P06401 1/20 0.50
PTGS1 P23219 1/20 0.50
MAPK1 P28482 1/20 0.50
MEN1 O00255 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
RAB9A P51151 1/20 0.49
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
KDM4E B2RXH2 3/20 0.46
HPGD P15428 2/20 0.46
MAPT P10636 2/20 0.46
TDP1 Q9NUW8 1/20 0.44
MMP2 P08253 1/20 0.43
FABP7 O15540 3/20 0.43
FABP3 P05413 3/20 0.43
FABP5 Q01469 3/20 0.43

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
SCHEMBL11040570 0.90 HSD17B10 (0.59) HSD17B10KMT2AALDH1A1GAAPGR
SCHEMBL2834574 0.90 HSD17B10 (0.59) HSD17B10KMT2AALDH1A1GAAPGR
SCHEMBL10707682 0.90 HSD17B10 (0.59) HSD17B10KMT2AALDH1A1GAAPGR
SCHEMBL331725 0.86 HSD17B10 (0.49) HSD17B10KMT2AALDH1A1GAAPGR
SCHEMBL4168622 0.84 HSD17B10 (0.53) HSD17B10KMT2AALDH1A1GAAPGR
SCHEMBL4168618 0.84 HSD17B10 (0.53) HSD17B10KMT2AALDH1A1GAAPGR
SCHEMBL4949311 0.82 ALDH1A1 (0.57) HSD17B10KMT2AALDH1A1GAAPGR
SCHEMBL1338970 0.81 HSD17B10 (0.57) HSD17B10KMT2AALDH1A1GAAPGR
SCHEMBL1338968 0.81 HSD17B10 (0.57) HSD17B10KMT2AALDH1A1GAAPGR
SCHEMBL23929229 0.79 HSD17B10 (0.51) HSD17B10KMT2AALDH1A1GAAPGR

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-113880998-A Anti-mud polycarboxylate superplasticizer and preparation method thereof 重庆三圣实业股份有限公司 2022-01-04 CN disclosed