SCHEMBL9858813

SCHEMBL9858813

C=CCOC(=O)CC(=O)c1ccc(C(F)(F)F)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
NOTUM Q6P988 1/20 0.35
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
HTT P42858 2/20 0.33
RAPGEF3 O95398 2/20 0.33
GAA P10253 1/20 0.33
BRAF P15056 1/20 0.33
HDAC1 Q13547 1/20 0.33
MAPT P10636 1/20 0.33
CYP3A4 P08684 1/20 0.33
XPO1 O14980 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL9859293 0.81 MEN1 (0.47) MEN1KMT2AMRGPRX4NOTUMRAB9A
SCHEMBL9858678 0.77 MEN1 (0.49) MEN1KMT2AKDM4ELMNAMAPK1
SCHEMBL16748942 0.74 PLOD2 (0.47) MEN1KMT2ARAB9AKDM4ELMNA
SCHEMBL25403646 0.73 PLOD2 (0.41) MEN1KMT2AMRGPRX4NOTUMRAB9A
SCHEMBL3328716 0.73 CCR2 (0.47) MEN1KMT2ARAB9AKDM4ELMNA
SCHEMBL23112384 0.72 GSK3B (0.54) MRGPRX4NOTUM
SCHEMBL24959794 0.72 NOTUM (0.42) MRGPRX4NOTUMHTTRAPGEF3HDAC1
SCHEMBL9859767 0.72 GPBAR1 (0.42) MEN1KMT2AMRGPRX4NOTUMRAB9A
SCHEMBL18741291 0.72 MAPT (0.50) MEN1KMT2ARAB9ALMNANPSR1
SCHEMBL9858842 0.71 HDAC1 (0.47) MRGPRX4NOTUMRAB9ALMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0153127-B1 N-ARYL-3-ARYL-4,5-DIHYDRO-1H-PYRAZOLE-1-CARBOXAMIDES, PROCESSES FOR THEIR PRODUCTION, INSECTICIDAL COMPOSITIONS CONTAINING THEM AND METHODS FOR COMBATTING INSECTS ROHM AND HAAS COMPANY (US) 1991-04-03 EP disclosed
US-4863947-A PESTICIDES, INSECTICIDES ROHM AND HAAS (US) 1989-09-05 US disclosed
US-4663341-A Insecticidal n-aryl-3-aryl-4,5-dihydro-1h-pyrazole-1-carboxamides ROHM AND HAAS COMPANY (US) 1987-05-05 US disclosed
EP-0153127-A2 N-aryl-3-aryl-4,5-dihydro-1H-pyrazole-1-carboxamides, processes for their production, insecticidal compositions containing them and methods for combatting insects ROHM AND HAAS COMPANY (US) 1985-08-28 EP disclosed