SCHEMBL7047667

SCHEMBL7047667

NC(=O)C(=O)c1ccccc1C1CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.39
ATM Q13315 1/20 0.39
OPRL1 P41146 1/20 0.38
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C9 P11712 1/20 0.36
PIN1 Q13526 1/20 0.36
GAA P10253 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
CYP2D6 P10635 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KCNH2 Q12809 1/20 0.35
LMNA P02545 1/20 0.34
METAP2 P50579 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
SCHEMBL6383642 0.84 ADRA1A (0.51) ADRA1AOPRL1ALDH1A1HSD17B10KDM4E
SCHEMBL161548 0.84 ADRA1A (0.51) ADRA1AOPRL1ALDH1A1HSD17B10KDM4E
SCHEMBL3671551 0.82 POLB (0.42) ALDH1A1HSD17B10CYP2C9PIN1PTGDR2
Hydrochloric Acid SCHEMBL30170745 0.82 ADRA1A (0.50) ADRA1AOPRL1ALDH1A1HSD17B10KDM4E
SCHEMBL7357951 0.79 ALDH1A1 (0.41) ALDH1A1HSD17B10MAPTTSHRPIN1
SCHEMBL30975812 0.79 RBP4 (0.39) ALDH1A1HSD17B10CYP2C9PIN1PTGDR2
SCHEMBL31557088 0.78 ADRA1A (0.47) ADRA1AOPRL1ALDH1A1HSD17B10KDM4E
SCHEMBL4694491 0.78 ADRA1A (0.47) ADRA1AOPRL1ALDH1A1HSD17B10KDM4E
SCHEMBL4443007 0.78 SLC6A2 (0.40) ADRA1AALDH1A1HSD17B10CYP2C9PIN1
SCHEMBL10457353 0.78 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTHPGDCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1299377-A2 SPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 2003-04-09 EP disclosed
WO-2002000641-A2 SPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 2002-01-03 WO disclosed