SCHEMBL9329170

SCHEMBL9329170

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

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
NPSR1 Q6W5P4 3/20 0.45
LMNA P02545 3/20 0.43
HTT P42858 1/20 0.43
GAA P10253 2/20 0.42
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
RORC P51449 1/20 0.41
NTSR1 P30989 1/20 0.41
MEN1 O00255 2/20 0.40
PKM P14618 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL9328408 0.90 MAPT (0.48) MAPTNPSR1LMNAHTTGAA
SCHEMBL11553203 0.87 MAPT (0.50) MAPTNPSR1LMNAHTTGAA
SCHEMBL9657004 0.86 MAPT (0.51) MAPTLMNAHTTHSD17B10KMT2A
SCHEMBL9307154 0.84 MAPT (0.52) MAPTNPSR1HTTGAAHSD17B10
SCHEMBL9307151 0.84 MAPT (0.52) MAPTNPSR1HTTGAAHSD17B10
SCHEMBL7913985 0.82 MAPT (0.52) MAPTNPSR1LMNAHTTGAA
SCHEMBL7913986 0.82 MAPT (0.52) MAPTNPSR1LMNAHTTGAA
SCHEMBL9331247 0.81 KMT2A (0.52) MAPTNPSR1HTTGAAHSD17B10
SCHEMBL9330256 0.81 MAPT (0.51) MAPTLMNAHTTHSD17B10KMT2A
SCHEMBL9329145 0.80 CYP1A2 (0.47) MAPTNPSR1LMNAHTTGAA

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