SCHEMBL11289367

SCHEMBL11289367

CCCCCCCCCCCCCCCCCNc1ccc(C#N)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.52
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ABL1 P00519 1/20 0.47
ABCB1 P08183 2/20 0.47
ABCG2 Q9UNQ0 2/20 0.47
GAA P10253 1/20 0.42
CYP2A6 P11509 1/20 0.42
KCNH3 Q9ULD8 1/20 0.42
TBXA2R P21731 1/20 0.40
ABCC1 P33527 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
CYP19A1 P11511 3/20 0.40

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
SCHEMBL11271958 1.00 MGLL (0.52) MGLLTSHRHSD17B10ABL1ABCB1
SCHEMBL3476184 1.00 MGLL (0.52) MGLLTSHRHSD17B10ABL1ABCB1
SCHEMBL11278352 1.00 MGLL (0.52) MGLLTSHRHSD17B10ABL1ABCB1
SCHEMBL5283982 1.00 MGLL (0.52) MGLLTSHRHSD17B10ABL1ABCB1
SCHEMBL11458650 1.00 MGLL (0.52) MGLLTSHRHSD17B10ABL1ABCB1
SCHEMBL11247222 1.00 MGLL (0.52) MGLLTSHRHSD17B10ABL1ABCB1
SCHEMBL11475163 1.00 MGLL (0.52) MGLLTSHRHSD17B10ABL1ABCB1
SCHEMBL11476246 1.00 MGLL (0.52) MGLLTSHRHSD17B10ABL1ABCB1
SCHEMBL11465958 1.00 MGLL (0.52) MGLLTSHRHSD17B10ABL1ABCB1
SCHEMBL11456707 1.00 MGLL (0.52) MGLLTSHRHSD17B10ABL1ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4309553-A HYPOLIPIDEMIC, ANTIATHEROSCLEROTIC AMERICAN CYANAMID COMPANY (US) 1982-01-05 US disclosed
US-4273785-A ANTILIPEMIC AGENTS, ANTIATHEROSCEROTIC AGENTS AMERICAN CYANAMID COMPANY (US) 1981-06-16 US disclosed
US-4216330-A HYPOLIPIDEMIC AND ANTIATHEROSCLEROTIC AGENTS AMERICAN CYANAMID COMPANY (US) 1980-08-05 US disclosed
US-4117158-A ANTILIPEMIC AGENTS AMERICAN CYANAMID COMPANY (US) 1978-09-26 US disclosed