SCHEMBL10680943

SCHEMBL10680943

O=C1OC(c2ccc(F)cc2)(C2CO2)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.41
GOPC Q9HD26 1/20 0.41
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
CYP3A4 P08684 2/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ESR1 P03372 1/20 0.40
TP53 P04637 1/20 0.40
TYMS P04818 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
ESR2 Q92731 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
GAA P10253 2/20 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
SCHEMBL19021292 0.73 CFTR (0.73) CFTRGOPCLMNASMN1; SMN2CYP3A4
SCHEMBL1823331 0.71 CFTR (0.46) CFTRGOPCLMNASMN1; SMN2CYP3A4
SCHEMBL7843306 0.71 CFTR (0.46) CFTRGOPCLMNASMN1; SMN2CYP3A4
SCHEMBL19010401 0.68 CFTR (0.63) CFTRGOPCLMNASMN1; SMN2CYP3A4
SCHEMBL7573541 0.67 GAA (0.44) CFTRGOPCLMNASMN1; SMN2CYP3A4
SCHEMBL28609498 0.63 PGR (0.38) CFTRGOPCLMNASMN1; SMN2CYP3A4
SCHEMBL9280066 0.62 CHRM5 (0.46) SMN1; SMN2CYP3A4POLBMAPTCYP2C9
SCHEMBL6564768 0.61 MEN1 (0.63) LMNASMN1; SMN2POLBMEN1MAPT
SCHEMBL29618973 0.61 MEN1 (0.63) LMNASMN1; SMN2POLBMEN1MAPT
SCHEMBL11452421 0.61 KCNQ2 (0.40) SMN1; SMN2CYP3A4MEN1MAPTKMT2A

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-0190945-A2 Herbicidal propylene oxide derivatives E.I. DU PONT DE NEMOURS AND COMPANY (US) 1986-08-13 EP claimed
US-4758262-A Substituted with phenyl ring E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-07-19 US disclosed