SCHEMBL9576337

SCHEMBL9576337

CC(Oc1ccc2ccccc2c1)C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.54
PPARG P37231 4/20 0.54
PPARA Q07869 4/20 0.54
MAPT P10636 2/20 0.50
POLB P06746 1/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 2/20 0.49
IRAK4 Q9NWZ3 1/20 0.49
RECQL P46063 1/20 0.48
CYP1A2 P05177 2/20 0.47
CYP2A6 P11509 1/20 0.47
PPARD Q03181 1/20 0.47
GAA P10253 1/20 0.46
CYP2C9 P11712 1/20 0.46
PKM P14618 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTPN7 P35236 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL29533463 1.00 EPHX1 (0.54) EPHX1PPARGPPARAMAPTPOLB
Benzene SCHEMBL27947282 0.98 PPARG (0.56) EPHX1PPARGPPARAMAPTPOLB
SCHEMBL11281808 0.92 SIRT2 (0.49) EPHX1PPARGPPARAMAPTPOLB
SCHEMBL20045393 0.84 CYP1A2 (0.66) PPARGPPARAMAPTPOLBLMNA
SCHEMBL2597632 0.84 CYP1A2 (0.66) PPARGPPARAMAPTPOLBLMNA
SCHEMBL11406778 0.82 PPARG (0.50) PPARGPPARAMAPTPOLBLMNA
SCHEMBL11873301 0.81 ALDH1A1 (0.62) PPARGPPARAMAPTPOLBLMNA
SCHEMBL1328578 0.81 GAA (0.56) POLBTDP1CYP1A2GAACYP2C9
SCHEMBL9579919 0.81 RECQL (0.57) PPARGPPARAMAPTPOLBLMNA
SCHEMBL29408328 0.81 RECQL (0.57) PPARGPPARAMAPTPOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5310513-A None JP disclosed
JP-55129250-A None JP disclosed
JP-H05310513-A HERBICIDE COMPOSITION IDEMITSU KOSAN CO LTD 1993-11-22 JP disclosed
EP-0370644-A2 Herbicidal compounds ZENECA LIMITED (GB) 1990-05-30 EP disclosed
EP-0368592-A1 Herbicidal compositions IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-05-16 EP disclosed
EP-0355049-A2 Heterocyclic compounds ZENECA LIMITED (GB) 1990-02-21 EP disclosed
US-4886656-A ORGANIC PHOSPHATE LIQUID TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-12-12 US disclosed
EP-0189377-A2 An agricultural composition with reduced toxicity to fishes and shellfishes Takeda Chemical Industries, Ltd. (JP) 1986-07-30 EP disclosed
JP-S55129250-A DERIVATIVE OF BETA-NAPHTHOXYPROPIONIC ACID AMIDE AND HERBICIDE CONTAINING IT AS EFFECTIVE COMPONENT NIPPON KAYAKU CO LTD 1980-10-06 JP disclosed