SCHEMBL9853831

SCHEMBL9853831

CC(O)c1ccc(C(=O)O)c(C(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.58
TDP1 Q9NUW8 5/20 0.58
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
CYP2C9 P11712 3/20 0.58
CYP2C19 P33261 2/20 0.58
CYP2D6 P10635 1/20 0.58
GRM8 O00222 1/20 0.58
GRM6 O15303 1/20 0.58
SLC6A2 P23975 1/20 0.58
SLC6A4 P31645 1/20 0.58
DRD3 P35462 1/20 0.58
GRM4 Q14833 1/20 0.58
ALDH1A1 P00352 7/20 0.53
UGT2B7 P16662 1/20 0.44
SORT1 Q99523 1/20 0.42
KDM4E B2RXH2 4/20 0.42
HPGD P15428 4/20 0.42
GRM1 Q13255 3/20 0.42
GRM2 Q14416 2/20 0.42

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
SCHEMBL1356399 0.85 HSD17B10 (0.60) HSD17B10TDP1MEN1KMT2ACYP2C9
SCHEMBL22733 0.85 HSD17B10 (0.60) HSD17B10TDP1MEN1KMT2ACYP2C9
SCHEMBL29401129 0.85 HSD17B10 (0.60) HSD17B10TDP1MEN1KMT2ACYP2C9
SCHEMBL14381820 0.84 KDM4E (0.61) HSD17B10TDP1MEN1KMT2ACYP2C9
SCHEMBL1516779 0.84 RXRB (0.44) HSD17B10TDP1MEN1KMT2ACYP2C9
SCHEMBL1955154 0.83 HSD17B10 (0.62) HSD17B10TDP1MEN1KMT2ACYP2C9
SCHEMBL21071460 0.82 TSHR (0.55) HSD17B10TDP1MEN1KMT2ACYP2C9
SCHEMBL13633350 0.82 MEN1 (0.41) HSD17B10TDP1MEN1KMT2ACYP2C9
SCHEMBL3925212 0.82 MEN1 (0.41) HSD17B10TDP1MEN1KMT2ACYP2C9
SCHEMBL3146754 0.82 TDP1 (0.53) HSD17B10TDP1MEN1KMT2ACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7393625-B2 Photothermographic material FUJIFILM CORPORATION (JP) 2008-07-01 US disclosed
EP-0314700-B1 NORBORNYL DIMER ESTER AND POLYESTER ADDITIVES FOR LUBRICANTS AND FUELS The Lubrizol Corporation (US) 1991-10-02 EP disclosed
US-4753662-A EXTREME PRESSURE, ANTIWEAR, INTERNAL COMBUSTION ENGINES THE LUBRIZOL CORPORATION (US) 1988-06-28 US disclosed
US-4707301-A Norbornyl dimer ester and polyester additives for lubricants and fuels THE LUBRIZOL CORPORATION (US) 1987-11-17 US disclosed
US-4217440-A Method for making branched polyesters reproducibly EASTMAN KODAK COMPANY (US) 1980-08-12 US disclosed