SCHEMBL8871499

SCHEMBL8871499

CCOC(=O)CC1(c2ccc(F)cc2)Cc2cc(F)ccc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK14 Q16539 2/20 0.36
CYP1A2 P05177 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 2/20 0.34
BRD4 O60885 1/20 0.34
AURKA O14965 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL8871527 0.83 HSD11B1 (0.47) MEN1CYP2C9CYP2C19KMT2A
SCHEMBL9970976 0.80 MAPK14 (0.37) OPRM1ALDH1A1MAPK14CYP1A2MEN1
SCHEMBL9937345 0.80 OPRM1 (0.39) OPRM1ALDH1A1MAPK14CYP1A2MEN1
SCHEMBL11541268 0.72 OPRM1 (0.43) OPRM1ALDH1A1CYP1A2MEN1LMNA
SCHEMBL9363341 0.70 OPRM1 (0.37) OPRM1ALDH1A1MAPK14MEN1LMNA
SCHEMBL6993857 0.70 GAA (0.40) OPRM1ALDH1A1CYP1A2MEN1LMNA
SCHEMBL14638776 0.70 LMNA (0.46) OPRM1ALDH1A1CYP1A2MEN1LMNA
SCHEMBL7845042 0.69 CA1 (0.46) CYP2C9CYP2C19
SCHEMBL14061841 0.68 TDP2 (0.44) ALDH1A1CYP1A2MEN1LMNAMAPT
SCHEMBL17211803 0.68 TDP2 (0.44) ALDH1A1CYP1A2MEN1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5591729-A INSECTICIDES, PESTICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1997-01-07 US disclosed
EP-0530264-B1 ARTHROPODICIDAL TETRAHYDROPYRIDAZINES DU PONT (US) 1996-10-23 EP disclosed
US-5380718-A Arthropodicidal fused tetrahydropyridazines E. I. DU PONT DE NEMOURS AND COMPANY (US) 1995-01-10 US disclosed
EP-0530264-A1 ARTHROPODICIDAL TETRAHYDROPYRIDAZINES. DU PONT (US) 1993-03-10 EP disclosed
WO-1991017983-A1 ARTHROPODICIDAL TETRAHYDROPYRIDAZINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-11-28 WO disclosed