SCHEMBL7445296

SCHEMBL7445296

CSCC[C@H](NC(=O)C(CSC(C)=O)Cc1ccc(C)cc1)C(=O)OCCOCCCl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.45
ANPEP P15144 1/20 0.45
FNTA P49354 2/20 0.43
FNTB P49356 2/20 0.43
PGGT1B P53609 2/20 0.43
PPID Q08752 1/20 0.39
LTA4H P09960 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ABCC3 O15438 1/20 0.38
NR1I2 O75469 1/20 0.38
ABCB11 O95342 1/20 0.38
NR3C1 P04150 1/20 0.38
RARG P13631 1/20 0.38
CNR1 P21554 1/20 0.38
OPRK1 P41145 1/20 0.38
NR1H2 P55055 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
SCHEMBL7545614 1.00 MME (0.45) MMEANPEPFNTAFNTBPGGT1B
SCHEMBL7538932 1.00 MME (0.45) MMEANPEPFNTAFNTBPGGT1B
SCHEMBL7441684 0.92 MME (0.54) MMEANPEPFNTAFNTBPGGT1B
SCHEMBL7446640 0.92 MME (0.54) MMEANPEPFNTAFNTBPGGT1B
SCHEMBL7445817 0.86 MME (0.42) MMEANPEPPPIDLTA4HCYP1A2
SCHEMBL7426427 0.86 MME (0.42) MMEANPEPPPIDLTA4HCYP1A2
SCHEMBL7440460 0.86 MME (0.42) MMEANPEPPPIDLTA4HCYP1A2
SCHEMBL7429654 0.86 USP2 (0.51) MMEANPEPFNTAFNTBPGGT1B
SCHEMBL7429646 0.86 USP2 (0.51) MMEANPEPFNTAFNTBPGGT1B
SCHEMBL7432939 0.83 MME (0.52) MMEANPEPFNTAFNTBPGGT1B

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