SCHEMBL9684009

SCHEMBL9684009

CC1CC(C(=O)O)CC1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 5/20 0.46
APLNR P35414 1/20 0.37
CYP2C19 P33261 2/20 0.35
GABRR2 P28476 1/20 0.34
GRM2 Q14416 1/20 0.34
BTK Q06187 1/20 0.34
PPP5C P53041 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALOX15 P16050 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
ACE P12821 1/20 0.33
AKR1C3 P42330 1/20 0.32
AKR1C1 Q04828 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL8006727 0.85 GABRR1 (0.46) GABRR1APLNRCYP2C19GABRR2BTK
SCHEMBL29156402 0.85 GABRR1 (0.46) GABRR1APLNRCYP2C19GABRR2BTK
SCHEMBL818934 0.85 GABRR1 (0.46) GABRR1APLNRCYP2C19GABRR2BTK
SCHEMBL3237860 0.84 GABRR1 (0.41) GABRR1APLNRCYP2C19GABRR2GRM2
SCHEMBL850635 0.84 APLNR (0.43) GABRR1APLNRCYP2C19BTKPPP5C
SCHEMBL850636 0.84 APLNR (0.43) GABRR1APLNRCYP2C19BTKPPP5C
SCHEMBL7722913 0.84 GABRR1 (0.48) GABRR1CYP2C19GABRR2GRM2PPP5C
SCHEMBL5500131 0.84 GABRR1 (0.48) GABRR1CYP2C19GABRR2GRM2PPP5C
SCHEMBL10441953 0.84 GABRR1 (0.48) GABRR1CYP2C19GABRR2GRM2PPP5C
SCHEMBL601704 0.83 GABRR1 (0.44) GABRR1APLNRBTKPPP5CSLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5096959-A Esterifying resin with cyclopentane- and cyclohexane dicarboxylic acids THE VALSPAR CORPORATION (US) 1992-03-17 US disclosed
WO-1991013938-A1 HYDROLYSIS RESISTANT ALKYD RESIN COATING COMPOSITION THE VALSPAR CORPORATION (US) 1991-09-19 WO disclosed
US-4423204-A HEAT RESISTANCE MOLDING MATERIALS THE UPJOHN COMPANY (US) 1983-12-27 US disclosed