SCHEMBL9858945

SCHEMBL9858945

O=C(CC(=O)c1ccc(Cl)c(C(F)(F)F)c1)OC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.45
EPHX2 P34913 6/20 0.44
RAF1 P04049 2/20 0.44
SLC6A3 Q01959 1/20 0.43
GPR35 Q9HC97 3/20 0.41
KDR P35968 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 1/20 0.39
GAA P10253 1/20 0.38
XBP1 P17861 1/20 0.38
MAPK1 P28482 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL21776928 0.80 KDR (0.48) SLC6A3KDRMAPTKMT2AGAA
SCHEMBL9859159 0.80 KMT2A (0.51) HSD11B1EPHX2RAF1MAPTKMT2A
SCHEMBL9858976 0.77 SMN1; SMN2 (0.58) SMN1; SMN2MAPT
SCHEMBL3328716 0.77 CCR2 (0.47) KDRSMN1; SMN2MAPTKMT2AGAA
SCHEMBL20702662 0.72 KDR (0.50) HSD11B1SLC6A3KDRMAPTKMT2A
SCHEMBL28077707 0.71 CYP2D6 (0.56) SMN1; SMN2MAPTKMT2AMAPK1
SCHEMBL20702651 0.71 NPFFR2 (0.50) HSD11B1EPHX2SLC6A3KDRMAPT
SCHEMBL30298640 0.71 GSK3B (0.54) HSD11B1SLC6A3KDRMAPTKMT2A
SCHEMBL1726226 0.71 GSK3B (0.54) HSD11B1SLC6A3KDRMAPTKMT2A
SCHEMBL30991460 0.71 NPFFR2 (0.50) HSD11B1EPHX2SLC6A3KDRMAPT

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