SCHEMBL9521586

SCHEMBL9521586

C=CCn1c(C(F)(F)F)c(C(=O)O)sc1=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.36
SHMT2 P34897 1/20 0.33
ALDH1A1 P00352 3/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPK1 P28482 1/20 0.33
PTPN7 P35236 1/20 0.33
DUSP3 P51452 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.32
LMNA P02545 1/20 0.31
KDM4E B2RXH2 1/20 0.31
RAB9A P51151 1/20 0.31
ALOX15 P16050 1/20 0.30

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
SCHEMBL9520403 0.82
SCHEMBL9866650 0.81 POLB (0.52) ALDH1A1HSD17B10MAPK1SMN1; SMN2POLB
SCHEMBL10392131 0.78 CYP3A4 (0.41) CYP3A4SHMT2
SCHEMBL9521180 0.77 CYP3A4 (0.37) CYP3A4SHMT2POLB
SCHEMBL10392132 0.76 CYP3A4 (0.39) CYP3A4SHMT2ALDH1A1SMN1; SMN2POLB
SCHEMBL9522954 0.76
SCHEMBL9519978 0.75 NOTUM (0.36) ALDH1A1POLBLMNA
SCHEMBL9868309 0.74 KDM4E (0.47) ALDH1A1MAPK1KDM4E
SCHEMBL9519955 0.65 POLB (0.43) ALDH1A1SMN1; SMN2POLBKDM4ERAB9A
SCHEMBL15484267 0.61 SMN1; SMN2 (0.50) ALDH1A1HSD17B10SMN1; SMN2POLBKDM4E

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-0300898-B1 PYRETHRINOID DERIVATIVES CONTAINING AN N-HETEROCYCLE, PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION, THEIR USE AS PESTICIDES AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1993-03-10 EP disclosed
EP-0300898-A1 Pyrethrinoid derivatives containing an N-heterocycle, processes and intermediates for their preparation, their use as pesticides and compositions containing them ROUSSEL-UCLAF (FR) 1989-01-25 EP disclosed