SCHEMBL7323491

SCHEMBL7323491

CCOC(=O)[C@H](N)CSCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.60
NPC1 O15118 2/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
IDO1 P14902 1/20 0.47
ELANE P08246 1/20 0.46
MMP8 P22894 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
CYP2C9 P11712 1/20 0.44
PIN1 Q13526 1/20 0.43
CYP2C19 P33261 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
ACE P12821 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL2238552 1.00 METAP2 (0.60) METAP2NPC1RAB9ASMN1; SMN2IDO1
Hydrochloric Acid SCHEMBL7323488 0.98 METAP2 (0.59) METAP2NPC1RAB9ASMN1; SMN2IDO1
Hydrochloric Acid SCHEMBL3366424 0.98 METAP2 (0.59) METAP2NPC1RAB9ASMN1; SMN2IDO1
SCHEMBL10519231 0.88 ALDH1A1 (0.49) METAP2NPC1RAB9ASMN1; SMN2IDO1
SCHEMBL7317999 0.87 METAP2 (0.47) METAP2NPC1RAB9ASMN1; SMN2MMP8
SCHEMBL8413073 0.86 IDO1 (0.48) METAP2IDO1CYP2C19PPARGPPARA
SCHEMBL1839764 0.86 METAP2 (0.52) METAP2IDO1CYP2C19PPARGPPARA
SCHEMBL2553802 0.86 METAP2 (0.52) METAP2IDO1CYP2C19PPARGPPARA
SCHEMBL4141148 0.86 METAP2 (0.52) METAP2IDO1CYP2C19PPARGPPARA
SCHEMBL28431790 0.86 METAP2 (0.47) METAP2IDO1ALDH1A1

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-5262436-A Administering; enzyme inhibitor SCHERING CORPORATION (US) 1993-11-16 US disclosed
EP-0566157-A1 Neutral metalloendopeptidase inhibitors in the treatment of hypertension SCHERING CORPORATION (US) 1993-10-20 EP 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
US-4801609-A Mercapto-acylamino acid antihypertensives SCHERING CORPORATION (US) 1989-01-31 US disclosed
EP-0254032-A2 Neutral metalloendopeptidase inhibitors in the treatment of hypertension SCHERING CORPORATION (US) 1988-01-27 EP disclosed