SCHEMBL10693458

SCHEMBL10693458

O=C(CO)Nc1ccccc1Cc1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
POLB P06746 1/20 0.45
ATM Q13315 1/20 0.45
CYP2C19 P33261 1/20 0.44
LMNA P02545 1/20 0.44
NOTUM Q6P988 2/20 0.43
PARP14 Q460N5 1/20 0.43
PSMB8 P28062 1/20 0.43

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
SCHEMBL10918371 0.84 FPR1 (0.52) FPR1ALDH1A1HPGDL3MBTL1LMNA
SCHEMBL10690887 0.84 L3MBTL1 (0.64) ALDH1A1HPGDL3MBTL1POLBATM
SCHEMBL10694549 0.82 SMN1; SMN2 (0.56) FPR1ALDH1A1HPGDL3MBTL1POLB
SCHEMBL10693682 0.75 L3MBTL1 (0.50) ALDH1A1HPGDL3MBTL1LMNA
SCHEMBL10691682 0.75 NPC1 (0.53) ALDH1A1HPGDL3MBTL1LMNA
SCHEMBL10690219 0.73 ALDH1A1 (0.59) ALDH1A1HPGDL3MBTL1POLBLMNA
SCHEMBL10690936 0.72 ALDH1A1 (0.56) ALDH1A1L3MBTL1POLBLMNA
SCHEMBL29559437 0.72 ALDH1A1 (0.49) FPR1ALDH1A1HPGDATM
SCHEMBL22897824 0.72 ALDH1A1 (0.49) FPR1ALDH1A1HPGDATM
SCHEMBL10692512 0.72 HDAC3 (0.63) ALDH1A1HPGDPOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0098743-B1 PHENYL ALPHA-ACYLOXYACETAMIDE DERIVATES AND THEIR THERAPEUTIC USE Yu, Ruey J., Dr. (US) 1988-09-28 EP disclosed
US-4518789-A Phenyl alpha-acyloxyacetamide derivatives and their therapeutic use YU RUEY J 1985-05-21 US disclosed
EP-0098743-A1 Phenyl alpha-acyloxyacetamide derivates and their therapeutic use Yu, Ruey J., Dr. (US) 1984-01-18 EP disclosed