Benzene

Benzene

SCHEMBL5809252

CCCC(NC(=O)OC(C)(C)C)C(O)C(F)(F)F.c1ccccc1

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.46
CTSS P25774 4/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
KLK5 Q9Y337 2/20 0.40
REN P00797 1/20 0.38
ATM Q13315 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
SCHEMBL15247712 0.86 CTSK (0.49) CTSKCTSSCA1CA2CA7
SCHEMBL12011309 0.83 CA1 (0.44) CTSKCTSSCA1CA2CA7
SCHEMBL8975300 0.81 APLNR (0.40) CTSKCTSSCA1CA2CA7
SCHEMBL8041100 0.81 CA1 (0.55) CTSKCTSSCA1CA2CA7
SCHEMBL16063760 0.80 CA2 (0.44) CTSKCTSSCA1CA2CA7
SCHEMBL5154942 0.80 CA1 (0.53) CTSKCTSSCA1CA2CA7
SCHEMBL464207 0.80 CA1 (0.41) CTSKCTSSCA1CA2CA7
SCHEMBL12011310 0.80 CTSK (0.43) CTSKCTSSCA1CA2CA7
SCHEMBL12194532 0.79 REN (0.43) CTSKCTSSCA1CA2CA7
SCHEMBL12195057 0.79 CTSK (0.43) CTSKCTSSCA1CA2CA7

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
WO-2006086609-A2 INHIBITORS OF TRYPTASE AXYS PHARMACEUTICALS, INC. (US) 2006-08-17 WO disclosed