SCHEMBL6490850

SCHEMBL6490850

CC(=COCCO)C(=O)OCCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.47
AKR1B10 O60218 3/20 0.44
AKR1B1 P15121 3/20 0.44
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TP53 P04637 1/20 0.41
GLA P06280 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL28193352 0.84 THRB (0.49) TDP1ALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL27036465 0.82 ALDH1A1 (0.46) HCAR2TDP1ALDH1A1L3MBTL1CYP3A4
SCHEMBL872900 0.82 HCAR2 (0.54) HCAR2AKR1B10AKR1B1ESR1ESR2
SCHEMBL873497 0.82 HCAR2 (0.54) HCAR2AKR1B10AKR1B1ESR1ESR2
SCHEMBL872898 0.82 HCAR2 (0.54) HCAR2AKR1B10AKR1B1ESR1ESR2
SCHEMBL8629629 0.79 TSHR (0.39) TSHR
SCHEMBL3292422 0.79 AKR1B10 (0.53) HCAR2AKR1B10AKR1B1ESR1ESR2
SCHEMBL29286573 0.79 HCAR2 (0.46) HCAR2AKR1B10AKR1B1ESR1ESR2
SCHEMBL1901807 0.79 ALDH1A1 (0.47) HCAR2AKR1B10AKR1B1ESR1ESR2
SCHEMBL5440629 0.78 ALDH1A1 (0.42) TDP1ALDH1A1L3MBTL1HPGDSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6852820-B2 Method for preparing acrylic copolymer materials suitable for ophthalmic devices NIDEK CO., LTD. (JP) 2005-02-08 US disclosed
EP-1035142-A1 Acrylic copolymer materials suitable for ophthalmic devices Nidek Co., Ltd. (JP) 2000-09-13 EP disclosed