SCHEMBL7333182

SCHEMBL7333182

CC(C(=O)O)N(C(=O)OC(C)(C)C)c1nccs1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.40
FFAR2 O15552 1/20 0.36
ALDH1A1 P00352 1/20 0.35
METAP1 P53582 1/20 0.33
RBBP9 O75884 1/20 0.33
NR3C1 P04150 1/20 0.32
GPR119 Q8TDV5 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
NPC1 O15118 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CPB2 Q96IY4 1/20 0.31
HSPA5 P11021 1/20 0.30
HSPA9 P38646 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL7292836 1.00 USP30 (0.40) USP30FFAR2ALDH1A1METAP1RBBP9
SCHEMBL1369612 0.87 USP30 (0.50) USP30FFAR2ALDH1A1METAP1NR3C1
SCHEMBL5942754 0.82 USP30 (0.41) USP30FFAR2ALDH1A1METAP1GPR119
SCHEMBL8091312 0.78 ALDH1A1 (0.38) USP30FFAR2ALDH1A1METAP1NR3C1
SCHEMBL3069954 0.77 METAP1 (0.36) USP30FFAR2ALDH1A1METAP1NR3C1
SCHEMBL1585657 0.77 FFAR2 (0.43) USP30FFAR2ALDH1A1METAP1NR3C1
SCHEMBL7336086 0.76 CA2 (0.41) ALDH1A1
SCHEMBL9728554 0.76 USP30 (0.35) USP30L3MBTL1
SCHEMBL27567713 0.76 METAP1 (0.36) USP30FFAR2ALDH1A1METAP1NR3C1
SCHEMBL1981228 0.75 GBA1 (0.36) USP30ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6281235-B1 CONTROL OF HYPERTENSION. G.D. SEARLE & CO. 2001-08-28 US disclosed
EP-0997459-A1 Intermediates for preparing retroviral protease inhibiting compounds Abbott Laboratories (US) 2000-05-03 EP disclosed
US-5849773-A Amino acyl amino propargyl diol compounds for treatment of hypertension G. D. SEARLE & CO. (US) 1998-12-15 US disclosed
US-5837873-A PROTECTED OXYDIAMINES ABBOTT LABORATORIES (US) 1998-11-17 US disclosed
US-5648497-A Retroviral protease inhibiting compounds ABBOTT LABORAOTRIES (US) 1997-07-15 US disclosed
US-5616714-A PYRIDYL, THIAZOLYL-SUBSTITUTED AMINO ACID DERIVATIVES ABBOTT LABORATORIES (US) 1997-04-01 US disclosed
US-5597926-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1997-01-28 US disclosed
US-5554783-A (2R, 3R, 4S, 5S)-3-ACETOXY-2,5-BIS/BENZYLOXYCARBONYLAMINO/ -4-BROMO-1,5-DIPHENYLHEXANE ABBOTT LABORATORIES (US) 1996-09-10 US disclosed
US-5541334-A TREATING HIV ABBOTT LABORATORIES (US) 1996-07-30 US disclosed
US-5508295-A RENIN INHIBITORS G. D. SEARLE & CO. (US) 1996-04-16 US disclosed
US-5354866-A Treating HIV infections ABBOTT LABORATORIES (US) 1994-10-11 US disclosed
US-5330996-A Renin inhibitors G. D. SEARLE & CO. (US) 1994-07-19 US disclosed
WO-1993009108-A1 AMINO ACYL AMINO PROPARGYL DIOL COMPOUNDS FOR TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1993-05-13 WO disclosed
EP-0486948-A2 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1992-05-27 EP disclosed