SCHEMBL14102496

SCHEMBL14102496

O=C(C1CC2C=CC1C2)C(F)(F)SO

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
ALDH1A1 P00352 5/20 0.34
RAB9A P51151 1/20 0.34
THRB P10828 1/20 0.33
EPHX2 P34913 3/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.30
APEX1 P27695 1/20 0.30
RECQL P46063 1/20 0.30
BLM P54132 1/20 0.30
ESR2 Q92731 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
HPGD P15428 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
SCHEMBL795538 0.76 KDM4E (0.46) KDM4ELMNAALDH1A1RAB9ATHRB
SCHEMBL23964280 0.76 KDM4E (0.53) KDM4ELMNAALDH1A1RAB9ATHRB
SCHEMBL3173529 0.72 KDM4E (0.59) KDM4ELMNAALDH1A1RAB9ATHRB
SCHEMBL5892403 0.72 KDM4E (0.63) KDM4ELMNAALDH1A1RAB9ATHRB
Trifluoroacetic Acid SCHEMBL15156223 0.70 KDM4E (0.47) KDM4ELMNAALDH1A1RAB9ATHRB
SCHEMBL22503046 0.70 KDM4E (0.56) KDM4ELMNAALDH1A1RAB9ATHRB
SCHEMBL22503332 0.70 KDM4E (0.56) KDM4ELMNAALDH1A1RAB9ATHRB
SCHEMBL21705290 0.70 KDM4E (0.61) KDM4ELMNAALDH1A1RAB9ATHRB
SCHEMBL75505 0.70 KDM4E (0.61) KDM4ELMNAALDH1A1RAB9ATHRB
SCHEMBL900095 0.70 KDM4E (0.61) KDM4ELMNAALDH1A1RAB9ATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1961739-A1 NOVEL COMPOUND, POLYMER, AND RESIN COMPOSITION JSR Corporation (JP) 2008-08-27 EP disclosed