SCHEMBL7435292

SCHEMBL7435292

CCCCCCNC(=O)C(O)C(CC(F)(F)F)N(C=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.38
S1PR1 P21453 6/20 0.36
S1PR3 Q99500 6/20 0.36
S1PR2 O95136 5/20 0.36
S1PR5 Q9H228 4/20 0.36
METAP2 P50579 1/20 0.36
NAAA Q02083 2/20 0.35
RRM1 P23921 1/20 0.34
TSHR P16473 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
MMP8 P22894 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33

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
SCHEMBL7448754 0.95 EPHX1 (0.31) EPHX1S1PR1S1PR3S1PR2S1PR5
SCHEMBL7438045 0.91
SCHEMBL7437466 0.83 NPC1 (0.32)
SCHEMBL7442612 0.80 DPP7 (0.35) DPP7
SCHEMBL7443434 0.79
SCHEMBL7442741 0.79 EPHX1 (0.39) EPHX1S1PR1S1PR3S1PR2S1PR5
SCHEMBL7442731 0.79 EPHX1 (0.39) EPHX1S1PR1S1PR3S1PR2S1PR5
SCHEMBL7442685 0.77 REN (0.45) MMP8
SCHEMBL7444363 0.74 EPHX1 (0.32) EPHX1
SCHEMBL7444369 0.74 EPHX1 (0.32) EPHX1

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
US-6187905-B1 PEPTIDE COMPOUND WHICH INHIBITS VIRAL PROTEINASES; VIRICIDES FOR HEPATITIS C, HEPATITIS G, AND HUMAN GB VIRUSES HOFFMANN-LA ROCHE INC. 2001-02-13 US disclosed