SCHEMBL11276531

SCHEMBL11276531

CCCC[C@@H](CCCBr)C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.48
CA1 P00915 4/20 0.48
CPB2 Q96IY4 2/20 0.45
MAPK1 P28482 1/20 0.44
TSHR P16473 2/20 0.40
CYP3A4 P08684 1/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TRPA1 O75762 1/20 0.39
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
ZDHHC7 Q9NXF8 1/20 0.38
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
DGKA P23743 1/20 0.34

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
SCHEMBL11276526 1.00 CA2 (0.48) CA2CA1CPB2MAPK1TSHR
SCHEMBL9645696 0.92 CA2 (0.48) CA2CA1CPB2MAPK1TSHR
SCHEMBL5491480 0.90 CA2 (0.57) CA2CA1CPB2MAPK1TSHR
SCHEMBL21052329 0.88 CA2 (0.55) CA2CA1CPB2MAPK1TSHR
Hydrochloric Acid SCHEMBL27486062 0.88 CA2 (0.55) CA2CA1CPB2MAPK1TSHR
SCHEMBL28301437 0.88 CA2 (0.55) CA2CA1CPB2MAPK1TSHR
SCHEMBL9305715 0.86 CPB2 (0.46) CA2CA1CPB2TDP1ALDH1A1
SCHEMBL28652592 0.86 CA2 (0.50) CA2CA1CPB2MAPK1TSHR
SCHEMBL7913384 0.86 CA2 (0.53) CA2CA1CPB2MAPK1TSHR
SCHEMBL18837210 0.86 CA2 (0.53) CA2CA1CPB2MAPK1SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4355170-A ANTIINFLAMMATORY, HYPERTENSIVE, ANTIASTHMATIC AGENTS, A THROMBOXANE SYNTHETASE INHIBITORS ONO PHARMACEUTICAL CO., LTD. (JP) 1982-10-19 US disclosed
US-4256757-A ANTIINFLAMMATORY AND HYPOTENSIVE AGENTS; THROMBOSIS; ASTHMA; NERVOUS SYSTEM DISORDERS ONO PHARMACEUTICAL CO., LTD. 1981-03-17 US disclosed