SCHEMBL9500924

SCHEMBL9500924

CCP(=O)(OCl)OCc1ccc(NC(=O)C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.47
NR1H4 Q96RI1 2/20 0.47
S1PR4 O95977 6/20 0.41
S1PR1 P21453 6/20 0.41
S1PR5 Q9H228 6/20 0.41
S1PR3 Q99500 4/20 0.41
MAPT P10636 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 2/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
PDK1 Q15118 1/20 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
SCHEMBL9503386 0.89 EPHX2 (0.48) EPHX2NR1H4S1PR4S1PR1S1PR5
SCHEMBL5809008 0.84 EPHX2 (0.51) EPHX2NR1H4S1PR4S1PR1S1PR5
SCHEMBL17845228 0.73 EPHX2 (0.55) EPHX2NR1H4MAPTCYP1A2CYP2C9
Butane SCHEMBL9503378 0.70 EPHX2 (0.44) EPHX2NR1H4S1PR4S1PR1S1PR5
SCHEMBL5750540 0.70 CA12 (0.46) EPHX2NR1H4MAPTCYP1A2CYP2C9
SCHEMBL11077344 0.70 CA12 (0.56) EPHX2NR1H4MAPTCYP1A2CYP2C9
SCHEMBL5007395 0.69 PGK1 (0.51) EPHX2NR1H4MAPTCYP1A2CYP2C9
SCHEMBL26491052 0.68 CA12 (0.54) EPHX2NR1H4MAPTCYP1A2CYP2C9
SCHEMBL8474460 0.68 MAPT (0.60) EPHX2NR1H4MAPTMEN1KMT2A
SCHEMBL9500135 0.68 CA12 (0.50) EPHX2NR1H4MAPTCYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0260939-B1 MOLECULES WITH ANTIBODY COMBINING SITES THAT EXHIBIT CATALYTIC PROPERTIES SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1993-04-28 EP disclosed
US-5126258-A Hydrolysis of polypeptides at predetermined site SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1992-06-30 US disclosed
US-5030717-A Binding site which bind to reactant ligand, stabilization SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1991-07-09 US disclosed
EP-0260939-A2 Molecules with antibody combining sites that exhibit catalytic properties SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1988-03-23 EP disclosed