SCHEMBL9312465

SCHEMBL9312465

CCc1c(F)ccc(C(=O)O)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.48
SELL P14151 1/20 0.44
SELP P16109 1/20 0.44
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HMGB1 P09429 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39

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
SCHEMBL6700773 0.85 ALB (0.48) ALBSELLSELPKDM4EALDH1A1
SCHEMBL8374984 0.84 SELL (0.50) ALBSELLSELPKDM4EALDH1A1
SCHEMBL1262535 0.84 HSP90AB1 (0.44) KDM4EALDH1A1HSD17B10MAPTPOLB
SCHEMBL1541651 0.83 CES2 (0.41) ALBKDM4EALDH1A1GABRPGABRD
SCHEMBL21723600 0.81 GABRP (0.39) ALBKDM4EALDH1A1GABRPGABRD
SCHEMBL9874859 0.81 SELL (0.57) SELLSELPKDM4EALDH1A1HPGD
SCHEMBL6683046 0.81 SELL (0.47) ALBSELLSELPKDM4EALDH1A1
SCHEMBL31336021 0.81 SELL (0.57) SELLSELPKDM4EALDH1A1HPGD
SCHEMBL3366721 0.80 GABRP (0.45) ALBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3337887 0.80 ALDH1A1 (0.41) ALBKDM4EALDH1A1GABRPGABRD

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
US-5302718-A Used for treating autoimmune diseases KABI PHARMACIA AB (SE) 1994-04-12 US disclosed