SCHEMBL12428671

SCHEMBL12428671

CS(=O)(=O)c1ccc(N2CCOCC2)c(COc2ccc3c(c2)OCCn2c-3c(C3CCCCC3)c3ccc(C(=O)O)nc32)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.34
SCN9A Q15858 1/20 0.33
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
CFTR P13569 1/20 0.32
EGFR P00533 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
MAOB P27338 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
MMP3 P08254 1/20 0.32
ADAM33 Q9BZ11 1/20 0.32
GPR55 Q9Y2T6 1/20 0.31

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
Hydrochloric Acid SCHEMBL771301 0.99 TRPM8 (0.34) TRPM8SCN9AUSP2ALDH1A1LMNA
SCHEMBL12428673 0.87 PRKCA (0.32) TRPM8SCN9ACFTR
SCHEMBL12428583 0.87 PRKCA (0.41) SCN9AUSP2ALDH1A1LMNATSHR
Hydrochloric Acid SCHEMBL772619 0.87 PRKCA (0.32) CFTR
Hydrochloric Acid SCHEMBL771907 0.86 PRKCA (0.41) SCN9AUSP2ALDH1A1LMNATSHR
SCHEMBL12428670 0.85 FFAR4 (0.34) CFTR
Hydrochloric Acid SCHEMBL772629 0.85 FFAR4 (0.34) CFTR
SCHEMBL12428662 0.84 SCN9A (0.39) SCN9AUSP2ALDH1A1LMNATSHR
Hydrochloric Acid SCHEMBL773003 0.83 SCN9A (0.38) SCN9AUSP2ALDH1A1LMNATSHR
SCHEMBL13476274 0.83 ALDH1A1 (0.33) USP2ALDH1A1LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed