SCHEMBL7315133

SCHEMBL7315133

CC(C)(C)N(C(=O)O)[C@@H](CC1CCCCC1)C(=O)c1cccs1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.44
NPC1 O15118 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 4/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 3/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP2C9 P11712 1/20 0.39
CTSC P53634 1/20 0.39
CCR5 P51681 1/20 0.39
CTSS P25774 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ATM Q13315 1/20 0.37

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
SCHEMBL7315141 1.00 RAB9A (0.44) RAB9ANPC1L3MBTL1HPGDALDH1A1
SCHEMBL9740119 0.77 USP30 (0.44) RAB9ANPC1L3MBTL1HPGDTSHR
SCHEMBL7307699 0.77 ATM (0.42) L3MBTL1HPGDALDH1A1TSHRMEN1
SCHEMBL7307705 0.77 ATM (0.42) L3MBTL1HPGDALDH1A1TSHRMEN1
SCHEMBL9049032 0.69 RAB9A (0.51) RAB9ANPC1L3MBTL1HPGDALDH1A1
SCHEMBL7312785 0.69 POLB (0.53) RAB9ANPC1L3MBTL1HPGDALDH1A1
SCHEMBL1863278 0.67 CPB2 (0.40) CTSS
SCHEMBL5065073 0.67 CTSK (0.39) CTSSATM
SCHEMBL1862554 0.67 CTSK (0.39) CTSSATM
SCHEMBL18916814 0.66 ANPEP (0.33) CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5459131-A Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1995-10-17 US disclosed
US-5104869-A Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1992-04-14 US disclosed
EP-0427939-A2 Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1991-05-22 EP disclosed