SCHEMBL7429654

SCHEMBL7429654

COC(=O)[C@H](CCSC)NC(=O)C(CSC(C)=O)Cc1ccc(C)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
FNTA P49354 2/20 0.48
FNTB P49356 2/20 0.48
PGGT1B P53609 2/20 0.48
MME P08473 1/20 0.48
ANPEP P15144 1/20 0.48
HTT P42858 1/20 0.47
LTA4H P09960 1/20 0.45
GAA P10253 1/20 0.45
CASP1 P29466 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ABCC3 O15438 1/20 0.43
NR1I2 O75469 1/20 0.43
ABCB11 O95342 1/20 0.43
NR3C1 P04150 1/20 0.43

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
SCHEMBL7429646 1.00 USP2 (0.51) USP2L3MBTL1FNTAFNTBPGGT1B
SCHEMBL7328102 0.90 MME (0.59) FNTAFNTBPGGT1BMMEANPEP
SCHEMBL7328105 0.90 MME (0.59) FNTAFNTBPGGT1BMMEANPEP
SCHEMBL7328108 0.90 MME (0.59) FNTAFNTBPGGT1BMMEANPEP
SCHEMBL7445296 0.86 MME (0.45) USP2L3MBTL1FNTAFNTBPGGT1B
SCHEMBL7538932 0.86 MME (0.45) USP2L3MBTL1FNTAFNTBPGGT1B
SCHEMBL7545614 0.86 MME (0.45) USP2L3MBTL1FNTAFNTBPGGT1B
SCHEMBL7431614 0.83 CYP3A4 (0.48) USP2L3MBTL1MMEANPEPHTT
SCHEMBL7431612 0.83 CYP3A4 (0.48) USP2L3MBTL1MMEANPEPHTT
SCHEMBL7442375 0.83 TAS1R3 (0.48) L3MBTL1FNTAFNTBMMEANPEP

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-4929641-A DIURETICS, ANGIOTENSIN CONVERTING ENZYMES SCHERING CORPORATION (US) 1990-05-29 US disclosed