SCHEMBL9506878

SCHEMBL9506878

O=C(O)C12CCCCC(C(=O)O)(CC1)CC2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.40
FFAR3 O14843 1/20 0.38
AKR1C1 Q04828 1/20 0.37
GRM1 Q13255 2/20 0.33
NPSR1 Q6W5P4 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32
BLM P54132 1/20 0.32
CACNA2D1 P54289 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL17893428 0.93 FFAR3 (0.38) CYP2C19FFAR3AKR1C1GRM1TSHR
SCHEMBL893183 0.89 FFAR3 (0.44) CYP2C19FFAR3AKR1C1GRM1
SCHEMBL10151921 0.81 GRM1 (0.36) CYP2C19FFAR3AKR1C1GRM1LMNA
SCHEMBL893472 0.78 GRM1 (0.37) CYP2C19FFAR3AKR1C1GRM1LMNA
SCHEMBL20294165 0.78 FFAR3 (0.36) FFAR3GRM1
SCHEMBL4442908 0.78 GRM1 (0.37) CYP2C19FFAR3AKR1C1GRM1LMNA
SCHEMBL2826212 0.78 FFAR3 (0.36) FFAR3GRM1
SCHEMBL8180378 0.78 NSD2 (0.38) CYP2C19FFAR3GRM1ALDH1A1LMNA
SCHEMBL478303 0.76 GRM1 (0.40) CYP2C19FFAR3GRM1
SCHEMBL16933182 0.76 GRM1 (0.40) CYP2C19FFAR3GRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0554369-A1 POLY(ALKYLENE CYCLOHEXANEDICARBOXYLATE) BINARY BLENDS GENERAL ELECTRIC COMPANY (US) 1993-08-11 EP claimed
EP-0554410-A1 POLY (ALKYLENE CYCLOHEXANEDICARBOXYLATE) - POLYCARBONATE COMPOSITIONS AND MODIFICATIONS GENERAL ELECTRIC COMPANY (US) 1993-08-11 EP claimed
EP-0551686-A1 Modifications of poly(alkylene cyclohexanedicarboxylate) blends GENERAL ELECTRIC COMPANY (US) 1993-07-21 EP claimed
WO-1993004128-A1 POLY (ALKYLENE CYCLOHEXANEDICARBOXYLATE) - POLYCARBONATE COMPOSITIONS AND MODIFICATIONS GENERAL ELECTRIC COMPANY (US) 1993-03-04 WO claimed
WO-1993004124-A1 POLY(ALKYLENE CYCLOHEXANEDICARBOXYLATE) BINARY BLENDS GENERAL ELECTRIC COMPANY (US) 1993-03-04 WO claimed
JP-5287182-A None JP disclosed
JP-H05287182-A MODIFIED POLYESTER RESIN COMPOSITION GENERAL ELECTRIC CO <GE> 1993-11-02 JP disclosed
EP-0554410-A1 POLY (ALKYLENE CYCLOHEXANEDICARBOXYLATE) - POLYCARBONATE COMPOSITIONS AND MODIFICATIONS GENERAL ELECTRIC COMPANY (US) 1993-08-11 EP disclosed
WO-1993004128-A1 POLY (ALKYLENE CYCLOHEXANEDICARBOXYLATE) - POLYCARBONATE COMPOSITIONS AND MODIFICATIONS GENERAL ELECTRIC COMPANY (US) 1993-03-04 WO disclosed