SCHEMBL9058677

SCHEMBL9058677

NC1(C(=O)O)CC2CCC2C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 8/20 0.58
CYP1A2 P05177 4/20 0.58
CYP2C19 P33261 3/20 0.58
ALOX15 P16050 3/20 0.58
ALDH1A1 P00352 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
GRM8 O00222 2/20 0.58
GRM6 O15303 2/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
KDM4E B2RXH2 1/20 0.58
GRM2 Q14416 4/20 0.50
GRM3 Q14832 4/20 0.50
GRM1 Q13255 2/20 0.50
LMNA P02545 1/20 0.50
GRM5 P41594 1/20 0.50
MTOR P42345 1/20 0.50
PLCB1 Q9NQ66 1/20 0.50

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
SCHEMBL26934469 0.90 GRM4 (0.54) GRM4CYP1A2CYP2C19ALOX15ALDH1A1
SCHEMBL31370260 0.84 GRM4 (0.58) GRM4CYP1A2CYP2C19ALOX15ALDH1A1
SCHEMBL31231770 0.83 GRM4 (0.50) GRM4CYP1A2CYP2C19ALOX15ALDH1A1
SCHEMBL27659968 0.78 GRM4 (0.55) GRM4CYP1A2CYP2C19ALOX15ALDH1A1
SCHEMBL15057785 0.76
SCHEMBL15060220 0.76
SCHEMBL25492080 0.74 GRM4 (0.58) GRM4CYP1A2CYP2C19ALOX15ALDH1A1
SCHEMBL25492047 0.74 GRM4 (0.58) GRM4CYP1A2CYP2C19ALOX15ALDH1A1
SCHEMBL659587 0.74 GRM4 (1.00) GRM4CYP1A2CYP2C19ALOX15ALDH1A1
SCHEMBL23833793 0.74 GRM4 (0.58) GRM4CYP1A2CYP2C19ALOX15ALDH1A1

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
WO-1996020010-A1 COMBINATION FOR REDUCING ANTIMICROBIAL RESISTANCE USING A METHYLATION INHIBITOR IN COMBINATION WITH AN ANTIBIOTIC ORIDIGM CORPORATION (US) 1996-07-04 WO disclosed