SCHEMBL9575172

SCHEMBL9575172

C=C(F)C(=O)Oc1c(C)cc(C)cc1C

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 3/20 0.33
RAPGEF4 Q8WZA2 1/20 0.32
MIF P14174 1/20 0.32
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HTT P42858 2/20 0.31
MAPT P10636 2/20 0.31
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TPMT P51580 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
LMNA P02545 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
SCHEMBL1521059 0.82 ELANE (0.39) KDM4EALDH1A1RAPGEF4MIFPOLB
SCHEMBL9656607 0.81 KDM4E (0.37) KDM4EALDH1A1POLBTDP1HTT
SCHEMBL9575193 0.81
SCHEMBL18697273 0.79 RAPGEF4 (0.37) KDM4EALDH1A1RAPGEF4MIFPOLB
SCHEMBL9575199 0.78 MEN1 (0.41) ALDH1A1TDP1HTTMAPTHSD17B10
SCHEMBL9575429 0.78 CYP1A2 (0.37) POLB
SCHEMBL25823465 0.75 CYP1A2 (0.35) KDM4EALDH1A1MIFPOLBTDP1
SCHEMBL15509359 0.74 RAPGEF4 (0.40) KDM4EALDH1A1RAPGEF4MIFPOLB
SCHEMBL9575374 0.74 CA1 (0.38) KDM4EALDH1A1HTTMAPT
SCHEMBL16112941 0.74 HPGD (0.38) KDM4EALDH1A1RAPGEF4MIFPOLB

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
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