SCHEMBL7280386

SCHEMBL7280386

O=C(O)CCCCCNC(=O)C(CS)Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MME P08473 4/20 0.80
ACE P12821 4/20 0.80
ALDH1A1 P00352 2/20 0.66
HPGD P15428 1/20 0.66
MAPK1 P28482 1/20 0.66
HSD17B10 Q99714 1/20 0.66
MEN1 O00255 1/20 0.66
MAPT P10636 1/20 0.66
ECE1 P42892 1/20 0.66
BLM P54132 1/20 0.66
NPEPPS P55786 1/20 0.66
KMT2A Q03164 1/20 0.66

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
SCHEMBL9068900 1.00 MME (0.80) MMEACEALDH1A1HPGDMAPK1
SCHEMBL7273423 1.00 MME (0.80) MMEACEALDH1A1HPGDMAPK1
SCHEMBL387085 1.00 MME (0.80) MMEACEALDH1A1HPGDMAPK1
SCHEMBL3631586 0.99 MME (0.82) MMEACEALDH1A1HPGDMAPK1
SCHEMBL7271591 0.94 MME (0.84) MMEACEALDH1A1HPGDMAPK1
SCHEMBL7281509 0.89 MME (0.71) MMEACEALDH1A1HPGDMAPK1
SCHEMBL389731 0.89 MME (1.00) MMEACEALDH1A1HPGDMAPK1
SCHEMBL29494162 0.89 MME (1.00) MMEACEALDH1A1HPGDMAPK1
SCHEMBL3623644 0.85 MME (0.68) MMEACEALDH1A1HPGDMAPK1
SCHEMBL3623638 0.85 MME (0.72) MMEACEALDH1A1HPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5496805-A DIURETIC, HYPOTENSIVE E. R. SQUIBB & SONS, INC. (US) 1996-03-05 US disclosed
US-4798904-A ANALGESICS E. R. SQUIBB & SONS, INC. (US) 1989-01-17 US disclosed
US-4774256-A MERCAPTO AND ACYLMERCAPTO AMIDES E. R. SQUIBB & SONS, INC. (US) 1988-09-27 US disclosed
US-4722810-A Enkephalinase inhibitors E. R. SQUIBB & SONS, INC. (US) 1988-02-02 US disclosed
EP-0136883-B1 ENKEPHALINASE INHIBITORS E.R. Squibb & Sons, Inc. (US) 1987-11-25 EP disclosed
EP-0136883-A2 Enkephalinase inhibitors E.R. Squibb & Sons, Inc. (US) 1985-04-10 EP disclosed