SCHEMBL7415176

SCHEMBL7415176

CCC(C)C(CS(=O)(=O)NCCC(C(=O)c1nc2ccccc2o1)c1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.44
ATM Q13315 1/20 0.41
PRSS8 Q16651 2/20 0.40
CTSS P25774 7/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CASP3 P42574 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
SCHEMBL7042854 0.84 PRSS8 (0.49) ELANEPRSS8CTSSCYP3A4CYP2C9
SCHEMBL7049761 0.79 ELANE (0.46) ELANEPRSS8
SCHEMBL6465159 0.78 FAAH (0.44) CTSSCYP3A4CYP2C9
SCHEMBL7044878 0.77 ELANE (0.41) ELANEPRSS8CTSSCYP3A4CYP2C9
SCHEMBL7046968 0.77 ELANE (0.44) ELANEATMPRSS8
SCHEMBL7045499 0.77 ELANE (0.43) ELANEATMPRSS8
SCHEMBL6062828 0.75 PRSS8 (0.43) ELANEATMPRSS8CTSSCASP3
SCHEMBL7046461 0.74 ELANE (0.43) ELANEATMPRSS8
SCHEMBL7042850 0.73 PRSS8 (0.46) ELANEATMPRSS8CTSSCYP3A4
SCHEMBL7415173 0.71 PRSS8 (0.41) ELANEATMPRSS8CTSS

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
EP-1161422-A1 AMINE DERIVATIVES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-12-12 EP disclosed
WO-2000055144-A1 AMINE DERIVATIVES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 WO disclosed