SCHEMBL8522673

SCHEMBL8522673

CC1(C)CC(C(=O)O)C(C(=O)O)C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.62
GRM4 Q14833 4/20 0.50
CYP2C19 P33261 3/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
GRM8 O00222 1/20 0.50
GRM6 O15303 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
GABRR1 P24046 4/20 0.39
SLC6A12 P48065 1/20 0.38
SLC6A11 P48066 1/20 0.38
FFAR3 O14843 1/20 0.35
GRM2 Q14416 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33
GABRR2 P28476 1/20 0.33

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
SCHEMBL4069142 0.83 SLC6A12 (0.45) APLNRGRM4CYP2C19ALDH1A1CYP1A2
SCHEMBL9473572 0.80 GRM4 (0.48) APLNRGRM4CYP2C19ALDH1A1CYP1A2
SCHEMBL9473564 0.80 GRM4 (0.48) APLNRGRM4CYP2C19ALDH1A1CYP1A2
SCHEMBL13612547 0.77 APLNR (0.48) APLNRALOX15
SCHEMBL301531 0.77
SCHEMBL18105922 0.75 SLC6A12 (0.39) APLNRGRM4CYP2C19ALDH1A1CYP1A2
SCHEMBL21621874 0.75 APLNR (0.42) APLNRGRM4CYP2C19ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL8319598 0.74 APLNR (0.94) APLNRGRM4CYP2C19ALDH1A1CYP1A2
SCHEMBL5501845 0.72 APLNR (0.80) APLNRGRM4CYP2C19ALDH1A1CYP1A2
SCHEMBL19830981 0.71 APLNR (0.39) APLNRGRM4CYP2C19ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0745647-B1 Blends of polyolefin graft copolymers and polycarbonates MONTELL NORTH AMERICA INC (US) 1999-08-18 EP claimed
US-5585434-A INCLUDES AT LEAST ONE ALIPHATIC POLYESTER MONTELL NORTH AMERICA INC. (US) 1996-12-17 US claimed
EP-0745647-A1 Blends of polyolefin graft copolymers and polycarbonates MONTELL NORTH AMERICA INC. (US) 1996-12-04 EP claimed
EP-0745647-B1 Blends of polyolefin graft copolymers and polycarbonates MONTELL NORTH AMERICA INC (US) 1999-08-18 EP disclosed
US-5585434-A INCLUDES AT LEAST ONE ALIPHATIC POLYESTER MONTELL NORTH AMERICA INC. (US) 1996-12-17 US disclosed
EP-0745647-A1 Blends of polyolefin graft copolymers and polycarbonates MONTELL NORTH AMERICA INC. (US) 1996-12-04 EP disclosed