SCHEMBL9575641

SCHEMBL9575641

C=C(F)C(=O)Oc1ccc(F)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 3/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
SOS1 Q07889 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SLC2A1 P11166 1/20 0.38
CHEK2 O96017 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 2/20 0.36
CASP3 P42574 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
CDK8 P49336 1/20 0.35

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
SCHEMBL12636049 0.84 CES2 (0.39) MAPTNPC1RAB9ASMN1; SMN2SOS1
SCHEMBL9575228 0.81
SCHEMBL9575359 0.80 ELANE (0.42) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL9575371 0.80 CHEK2 (0.37) MAPTNPC1RAB9ACHEK2KMT2A
SCHEMBL9655860 0.79 CYP3A4 (0.33) HSD17B10
SCHEMBL6329514 0.77 MAPT (0.49) MAPTNPC1RAB9AHTTSMN1; SMN2
SCHEMBL19810305 0.77 MEN1 (0.52) MAPTNPC1RAB9AHTTSMN1; SMN2
SCHEMBL9575635 0.77 TPMT (0.35) MAPTRAB9ATSHR
SCHEMBL9575341 0.77 MRGPRX4 (0.42) MAPTNPC1RAB9AKMT2A
SCHEMBL20296803 0.75 MAPT (0.43) MAPTNPC1RAB9AHTTSMN1; SMN2

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
US-5266668-A Substituted phenyl α-fluoroacrylates HOECHST AKTIENGESELLSCHAFT (DE) 1993-11-30 US disclosed
EP-0249867-B1 SUBSTITUTED PHENYL ESTERS OF ALPHA-FLUOROACRYLIC ACID HOECHST AKTIENGESELLSCHAFT (DE) 1992-01-02 EP disclosed
EP-0249867-A2 Substituted phenyl esters of alpha-fluoroacrylic acid HOECHST AKTIENGESELLSCHAFT (DE) 1987-12-23 EP disclosed