SCHEMBL9644589

SCHEMBL9644589

CC(C)(C)OC(=O)C(CCC(=O)O)C(N)Sc1ccc2ccccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.42
LTA4H P09960 1/20 0.37
PLA2G2A P14555 2/20 0.36
PLA2G10 O15496 1/20 0.36
MC4R P32245 1/20 0.35
MC5R P33032 1/20 0.35
MC1R Q01726 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
CYP1A2 P05177 2/20 0.35
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
GABRB1 P18505 1/20 0.35
GABRB2 P47870 1/20 0.35
ANPEP P15144 1/20 0.34
KIF11 P52732 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
SIRT5 Q9NXA8 1/20 0.34

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
SCHEMBL27626874 0.76 LTA4H (0.41) LTA4HCTSSCTSKCYP1A2
SCHEMBL27626868 0.76 LTA4H (0.41) LTA4HCTSSCTSKCYP1A2
SCHEMBL9753260 0.70 EPHX1 (0.41) EPHX1CTSBCTSSCTSKPPARG
SCHEMBL9644339 0.69 GABRP (0.42) LTA4HCYP1A2GABRB1GABRB2ANPEP
SCHEMBL9644585 0.69 GRIK1 (0.45) CTSBANPEPKIF11
SCHEMBL9752900 0.69 EPHX1 (0.45) EPHX1CTSBCTSSCTSKPPARG
SCHEMBL8362256 0.68 GABRB1 (0.52) CTSBCTSSCTSKGABRB1GABRB2
SCHEMBL31532287 0.67 HTR2A (0.53) LTA4HMC4RMC5RCTSBCTSS
SCHEMBL7383107 0.67 HTR2A (0.53) LTA4HMC4RMC5RCTSBCTSS
SCHEMBL27527031 0.66 GABRB1 (0.42) CTSBCTSSCTSKCYP1A2PPARG

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
EP-0505467-A1 PHARMACOLOGICALLY ACTIVE AMIDE CARBOXYLATE DERIVATIVES Astra Pharmaceuticals Limited (GB) 1992-09-30 EP disclosed