SCHEMBL7445817

SCHEMBL7445817

CSCC[C@H](NC(=O)[C@@H](CSC(C)=O)Cc1ccccc1C)C(=O)OCCOCCCl

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.42
ANPEP P15144 1/20 0.42
GAA P10253 1/20 0.37
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
LTA4H P09960 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
ABCC3 O15438 1/20 0.35
NR1I2 O75469 1/20 0.35
ABCB11 O95342 1/20 0.35
NR3C1 P04150 1/20 0.35
RARG P13631 1/20 0.35
CNR1 P21554 1/20 0.35
OPRK1 P41145 1/20 0.35
NR1H2 P55055 1/20 0.35
PPARA Q07869 1/20 0.35
NR1H3 Q13133 1/20 0.35
NR1I3 Q14994 1/20 0.35

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
SCHEMBL7426427 1.00 MME (0.42) MMEANPEPGAACYP3A4CYP2C19
SCHEMBL7440460 1.00 MME (0.42) MMEANPEPGAACYP3A4CYP2C19
SCHEMBL7441684 0.89 MME (0.54) MMEANPEPCYP3A4CYP2C19LTA4H
SCHEMBL7446640 0.89 MME (0.54) MMEANPEPCYP3A4CYP2C19LTA4H
SCHEMBL489493 0.87 MME (0.46) MMEANPEPGAACYP3A4CYP2C19
SCHEMBL29977652 0.87 MME (0.46) MMEANPEPGAACYP3A4CYP2C19
SCHEMBL29436985 0.87 MME (0.46) MMEANPEPGAACYP3A4CYP2C19
SCHEMBL29436986 0.87 MME (0.46) MMEANPEPGAACYP3A4CYP2C19
SCHEMBL389352 0.87 MME (0.46) MMEANPEPGAACYP3A4CYP2C19
SCHEMBL389351 0.87 MME (0.46) MMEANPEPGAACYP3A4CYP2C19

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