SCHEMBL9329145

SCHEMBL9329145

COC(=O)C(=CC=Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 3/20 0.44
HTT P42858 2/20 0.44
HSD17B10 Q99714 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44
KMT2A Q03164 2/20 0.43
RORC P51449 1/20 0.43
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL9655836 0.85 CYP1A2 (0.50) CYP1A2CYP2D6MAPTHTTHSD17B10
SCHEMBL9655833 0.85 CYP1A2 (0.50) CYP1A2CYP2D6MAPTHTTHSD17B10
SCHEMBL9551037 0.84 MAPT (0.57) CYP1A2CYP2D6MAPTHTTHSD17B10
SCHEMBL9384841 0.84 MAPT (0.57) CYP1A2CYP2D6MAPTHTTHSD17B10
SCHEMBL9330267 0.82 CYP1A2 (0.50) CYP1A2CYP2D6MAPTHTTHSD17B10
SCHEMBL11553203 0.82 MAPT (0.50) CYP1A2CYP2D6MAPTHTTHSD17B10
SCHEMBL6983075 0.80 CYP1A2 (0.56) CYP1A2CYP2D6MAPTHTTHSD17B10
SCHEMBL6983081 0.80 CYP1A2 (0.56) CYP1A2CYP2D6MAPTHTTHSD17B10
SCHEMBL9329170 0.80 MAPT (0.48) CYP1A2CYP2D6MAPTHTTHSD17B10
SCHEMBL9307151 0.78 MAPT (0.52) CYP1A2CYP2D6MAPTHTTHSD17B10

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-0300387-B1 Phenyl alkenylcarboxylic acids and their esters BASF AG (DE) 1994-03-23 EP disclosed
EP-0300387-A2 Phenyl alkenylcarboxylic acids and their esters BASF Aktiengesellschaft (DE) 1989-01-25 EP disclosed