SCHEMBL7269478

SCHEMBL7269478

NC(CC1CCCCC1)=C(O)c1cccs1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.46
NPC1 O15118 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HPGD P15428 4/20 0.43
ALDH1A1 P00352 2/20 0.43
TSHR P16473 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 2/20 0.41
EPHX2 P34913 1/20 0.38
QRFPR Q96P65 1/20 0.38
GAA P10253 2/20 0.37
NOS1 P29475 1/20 0.37
DAO P14920 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL5046549 0.74 ALDH1A1 (0.57) RAB9ANPC1L3MBTL1HPGDALDH1A1
SCHEMBL6414100 0.72 RAB9A (0.55) RAB9ANPC1L3MBTL1HPGDALDH1A1
SCHEMBL7260704 0.68 RAB9A (0.51) RAB9ANPC1L3MBTL1HPGDALDH1A1
SCHEMBL24577735 0.68 DAO (0.64) RAB9ANPC1HPGDALDH1A1MEN1
SCHEMBL25334439 0.68 DAO (0.64) RAB9ANPC1HPGDALDH1A1MEN1
SCHEMBL12262036 0.67 ALDH1A1 (0.60) RAB9ANPC1L3MBTL1HPGDALDH1A1
Thiophene Carboxylic Acid SCHEMBL27808722 0.67 DAO (0.63) RAB9ANPC1L3MBTL1HPGDALDH1A1
SCHEMBL28024080 0.67 RAB9A (0.55) RAB9ANPC1L3MBTL1HPGDALDH1A1
SCHEMBL28194803 0.67 HPGD (0.44) RAB9ANPC1L3MBTL1HPGDALDH1A1
SCHEMBL9049027 0.66 RAB9A (0.58) RAB9ANPC1L3MBTL1HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5189023-A Hypotensive agent AMERICAN CYANAMID COMPANY (US) 1993-02-23 US disclosed
US-5104869-A Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1992-04-14 US disclosed
EP-0473936-A1 Renin Inhibitors AMERICAN CYANAMID COMPANY (US) 1992-03-11 EP disclosed
EP-0427939-A2 Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1991-05-22 EP disclosed
EP-0376040-A2 N-phosphinyl di-and tripeptides as renin inhibitors AMERICAN CYANAMID COMPANY (US) 1990-07-04 EP disclosed