SCHEMBL7445569

SCHEMBL7445569

CC(=O)SC[C@@H](C(=O)N[C@@H](Cc1cccs1)C(N)=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FCER2 P06734 4/20 0.49
RAB9A P51151 1/20 0.44
MMP1 P03956 2/20 0.43
CTSC P53634 4/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.42
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
CYP2C19 P33261 1/20 0.39
HPGDS O60760 1/20 0.39
OXTR P30559 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RECQL P46063 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
SCHEMBL7436798 1.00 FCER2 (0.49) FCER2RAB9AMMP1CTSCLMNA
SCHEMBL28609690 0.76 EPHX1 (0.60) RAB9ACTSCLMNAPKMCYP2C19
SCHEMBL27875411 0.73 EPHX1 (0.54) FCER2LMNAPKMCYP2C19
SCHEMBL7306181 0.73 CYP2C19 (0.50) RAB9ACTSCLMNAPKMCYP2C19
SCHEMBL12464483 0.73 FCER2 (0.52) FCER2RAB9AMMP1CTSCHPGDS
SCHEMBL7446381 0.71 MME (0.57)
SCHEMBL7437631 0.71 MME (0.57)
SCHEMBL29290747 0.70 CYP2C19 (0.66) RAB9ACTSCLMNAPKMCYP2C19
SCHEMBL7445888 0.70 CYP2C19 (0.57) RAB9ACTSCPKMCYP2C19ALDH1A1
SCHEMBL25721680 0.68 RAB9A (0.54) RAB9ACTSCLMNAPKMCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5262436-A Administering; enzyme inhibitor SCHERING CORPORATION (US) 1993-11-16 US disclosed
US-5061710-A Atrial natriuretic factors SCHERING CORPORATION (US) 1991-10-29 US disclosed
US-4929641-A DIURETICS, ANGIOTENSIN CONVERTING ENZYMES SCHERING CORPORATION (US) 1990-05-29 US disclosed