SCHEMBL11285335

SCHEMBL11285335

O=C(O)C[C@H](NC(=O)CCSC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
GPR139 Q6DWJ6 1/20 0.44
GAA P10253 1/20 0.44
ACE P12821 2/20 0.43
MME P08473 1/20 0.42
CA2 P00918 3/20 0.41
CA4 P22748 1/20 0.41
CA1 P00915 1/20 0.40
TMPRSS15 P98073 2/20 0.40
PRSS1 P07477 1/20 0.40
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
CASP3 P42574 1/20 0.39

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
SCHEMBL11283051 0.89 ALDH1A1 (0.46) MAPTGPR139ACECA2CA1
SCHEMBL11278576 0.86 FNTA (0.52) MAPTGPR139ACECA2CA1
SCHEMBL11274797 0.85 ACE (0.61) ACEMME
SCHEMBL11267806 0.84 FOLH1 (0.48) MAPTGPR139ACEMME
SCHEMBL11113484 0.83 FNTA (0.59) CA2CA1SMN1; SMN2FNTAFNTB
SCHEMBL3509720 0.80 GPR139 (0.52) MAPTGPR139MMEALDH1A1KMT2A
SCHEMBL3508201 0.80 GPR139 (0.52) MAPTGPR139MMEALDH1A1KMT2A
SCHEMBL3508194 0.80 GPR139 (0.52) MAPTGPR139MMEALDH1A1KMT2A
SCHEMBL11489707 0.76 ACE (0.41) GPR139ACEFNTAFNTB
SCHEMBL11489711 0.76 AGTR2 (0.53) CA2CA1FNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4339600-A ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1982-07-13 US disclosed
US-4199512-A Compounds for alleviating hypertension E. R. SQUIBB & SONS, INC. (US) 1980-04-22 US disclosed
US-4173704-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1979-11-06 US disclosed
US-4140797-A MERCAPTOACYL AMINO ACIDS, ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1979-02-20 US disclosed
US-4140786-A ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1979-02-20 US disclosed
US-4112119-A MERCAPTOACYL AMINOACIDS E. R. SQUIBB & SONS, INC. (US) 1978-09-05 US disclosed
US-4053651-A MERCAPTOACYL AMINO ACIDS, ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1977-10-11 US disclosed