SCHEMBL9829744

SCHEMBL9829744

O=C(Cc1ccccc1)c1ccc(OCC(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.55
L3MBTL1 Q9Y468 3/20 0.53
MAPT P10636 2/20 0.53
SRD5A2 P31213 2/20 0.51
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49
MAPK1 P28482 1/20 0.49
CASP3 P42574 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
MEN1 O00255 1/20 0.49
S1PR2 O95136 1/20 0.49
S1PR4 O95977 1/20 0.49
GAA P10253 1/20 0.49
XBP1 P17861 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
PAX8 Q06710 1/20 0.49

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
SCHEMBL14033159 0.81 GAA (0.60) L3MBTL1MAPTSRD5A2LMNASMN1; SMN2
SCHEMBL4220632 0.81 NR4A1 (0.72) STSL3MBTL1MAPTSRD5A2LMNA
SCHEMBL6203036 0.80 NPC1 (0.61) STSL3MBTL1MAPTSRD5A2SMN1; SMN2
SCHEMBL20831005 0.79 KMT2A (0.61) MAPTSRD5A2LMNASMN1; SMN2MEN1
SCHEMBL964774 0.79 RXRA (0.50) SRD5A2SMN1; SMN2PPARGPPARANPC1
SCHEMBL1515765 0.79 MAPT (0.61) STSL3MBTL1MAPTSRD5A2MEN1
SCHEMBL23519349 0.79 STS (0.55) STSL3MBTL1MAPTSRD5A2LMNA
SCHEMBL1985055 0.79 L3MBTL1 (0.60) L3MBTL1SRD5A2SMN1; SMN2MAPK1NR4A2
SCHEMBL11631475 0.79 STS (0.66) STSL3MBTL1MAPTSRD5A2PPARG
Bicarbonate SCHEMBL27771212 0.78 SMN1; SMN2 (0.51) L3MBTL1MAPTLMNASMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0227055-B1 INSECTICIDAL PYRAZOLINES SCHERING AKTIENGESELLSCHAFT (DE) 1991-08-07 EP disclosed
US-4888340-A Insecticides pyrazolines, compositions and use SCHERING AKTIENGESELLSCHAFT (DE) 1989-12-19 US disclosed
EP-0227055-A1 Insecticidal pyrazolines SCHERING AKTIENGESELLSCHAFT (DE) 1987-07-01 EP disclosed