SCHEMBL5037410

SCHEMBL5037410

COc1cc(F)c([C@H](OC)C(=O)NCc2ccc(C(=N)N)cc2Cl)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.46
F2 P00734 3/20 0.43
PRSS1 P07477 3/20 0.43
EPHX2 P34913 7/20 0.42
PLAU P00749 2/20 0.38
PLG P00747 1/20 0.38
F7 P08709 1/20 0.38
NR1H4 Q96RI1 4/20 0.36
TMPRSS15 P98073 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
PTGES O14684 1/20 0.35

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
SCHEMBL5037404 1.00 F10 (0.46) F10F2PRSS1EPHX2PLAU
Hydrochloric Acid SCHEMBL5047444 0.99 F10 (0.48) F10F2PRSS1EPHX2PLAU
Hydrochloric Acid SCHEMBL5047435 0.99 F10 (0.48) F10F2PRSS1EPHX2PLAU
Hydrochloric Acid SCHEMBL5041692 0.91 F10 (0.57) F10F2PRSS1EPHX2PLAU
Hydrochloric Acid SCHEMBL5041686 0.91 F10 (0.57) F10F2PRSS1EPHX2PLAU
Hydrochloric Acid SCHEMBL5040595 0.88 F2 (0.43) F10F2PRSS1EPHX2PLAU
Hydrochloric Acid SCHEMBL5040592 0.88 F2 (0.43) F10F2PRSS1EPHX2PLAU
SCHEMBL5041486 0.85 F10 (0.63) F10F2PRSS1PLAUPLG
SCHEMBL5041473 0.85 F10 (0.63) F10F2PRSS1PLAUPLG
SCHEMBL5041146 0.85 F2 (0.48) F10F2PRSS1F7

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-1567498-B1 MANDELIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-23 EP disclosed