SCHEMBL7670720

SCHEMBL7670720

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1C(c2ccccc2)SC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)c1nc2ccccc2o1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRSS8 Q16651 2/20 0.47
ELANE P08246 10/20 0.44
CTSS P25774 6/20 0.42
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL7661082 0.91 CMA1 (0.44) ELANECTSS
SCHEMBL7665808 0.86 CAPN1 (0.41) CTSSCYP3A4
SCHEMBL7660604 0.86 CTSD (0.40) ELANECYP3A4
SCHEMBL7661632 0.85 F2 (0.43)
SCHEMBL5711290 0.85 PRSS8 (0.49) PRSS8ELANECTSSCYP3A4CYP2C9
SCHEMBL7665212 0.84 F2 (0.42) ELANECYP3A4
SCHEMBL7661080 0.84 CCR1 (0.46) ELANECYP3A4
SCHEMBL7667642 0.82 CMA1 (0.51) ELANE
SCHEMBL7665870 0.80 CTSD (0.46) CTSSCYP3A4
SCHEMBL7669892 0.79 CCR1 (0.47) ELANECTSS

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-6410576-B1 ANTIINFLAMMATORY AGENTS; CARDIOVASCULAR DISORDERS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-06-25 US disclosed