SCHEMBL11601488

SCHEMBL11601488

NC(=O)Nc1cccc(CC(=O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SELP P16109 2/20 0.60
SELE P16581 2/20 0.60
HPSE Q9Y251 2/20 0.60
NR1H4 Q96RI1 5/20 0.57
SELL P14151 1/20 0.56
ENPP2 Q13822 1/20 0.52
PPARG P37231 4/20 0.50
PPARD Q03181 4/20 0.50
PPARA Q07869 4/20 0.50
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
GFER P55789 1/20 0.49
AKR1B1 P15121 1/20 0.48
PDE5A O76074 1/20 0.48
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48

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
SCHEMBL11627789 0.88 CSNK2A1 (0.54) SELPSELEHPSENR1H4SELL
SCHEMBL4515437 0.87 HPSE (0.57) SELPSELEHPSENR1H4SELL
Phenylurea SCHEMBL5852221 0.86 AKR1B1 (0.63) HPSENR1H4GAAMAPTGFER
SCHEMBL11509798 0.85 NOS3 (0.48) SELPSELEHPSENR1H4GAA
SCHEMBL4505211 0.84 GAA (0.55) GAAMAPTGFERITGB3ITGA2B
SCHEMBL11359247 0.83 SELP (0.65) SELPSELEHPSENR1H4SELL
SCHEMBL30557308 0.83 HPSE (0.78) SELPSELEHPSENR1H4SELL
SCHEMBL3976944 0.83 NR1H4 (0.61) SELPSELEHPSENR1H4SELL
SCHEMBL6136003 0.83 HPSE (0.78) SELPSELEHPSENR1H4SELL
SCHEMBL27951813 0.83 NR3C2 (0.59) GAAMAPTGFERITGB3ITGA2B

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
CN-1075717-A Benzodiazepine * derivatives YAMANOUCHI PHARMA CO LTD (JP) 1993-09-01 CN disclosed
US-4091227-A ANTIBACTERIAL AGENTS SMITHKLINE CORPORATION (US) 1978-05-23 US disclosed
US-4067977-A ANTIBACTERIAL SMITHKLINE CORPORATION (US) 1978-01-10 US disclosed
US-4067978-A ANTIBACTERIAL SMITHKLINE CORPORATION (US) 1978-01-10 US disclosed
US-4067976-A BACTERICIDES SMITHKLINE CORPORATION (US) 1978-01-10 US disclosed
US-4007173-A BACTERICIDE SMITHKLINE CORPORATION (US) 1977-02-08 US disclosed