SCHEMBL9500742

SCHEMBL9500742

COC(=O)c1ccc(OC2=C(Oc3ccc(C(=O)OC)cc3)C(F)(F)C(F)(F)C2(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
MAPT P10636 5/20 0.50
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 3/20 0.48
TDP1 Q9NUW8 1/20 0.47
CA12 O43570 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
STS P08842 1/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 3/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
TSHR P16473 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL9496954 0.93 MAPT (0.47) CA1CA2MAPTKMT2AALDH1A1
SCHEMBL9775363 0.89 PARP15 (0.48) CA1CA2MAPTKMT2AALDH1A1
SCHEMBL9495514 0.81 SRD5A2 (0.55) CA1CA2KMT2ATSHR
SCHEMBL69218 0.80 CA1 (0.75) CA1CA2MAPTKMT2AALDH1A1
SCHEMBL9731450 0.78 CA1 (0.67) CA1CA2MAPTKMT2AALDH1A1
SCHEMBL9549836 0.76 CA1 (0.58) CA1CA2MAPTKMT2AALDH1A1
SCHEMBL9496161 0.75 KMT2A (0.54) CA1CA2MAPTKMT2AALDH1A1
SCHEMBL21288599 0.75 KMT2A (0.64) CA1CA2MAPTKMT2AALDH1A1
SCHEMBL20252722 0.74 CA1 (0.67) CA1CA2MAPTKMT2AALDH1A1
SCHEMBL2188276 0.74 CA1 (0.88) CA1CA2MAPTKMT2ATDP1

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-0343441-B1 FLUORINATED BIS-ARYLOXY-SUBSTITUTED ALKENES, METHOD FOR THEIR PRODUCTION AN THEIR APPLICATION BAYER AG (DE) 1993-03-24 EP disclosed
US-4990633-A Used as insulating agents BAYER AKTIENGESELLSCHAFT (DE) 1991-02-05 US disclosed
EP-0343441-A2 Fluorinated bis-aryloxy-substituted alkenes, method for their production an their application BAYER AG (DE) 1989-11-29 EP disclosed