SCHEMBL11066604

SCHEMBL11066604

CCOC(C)OCC.O=Cc1ccc(Br)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 3/20 0.39
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALPL P05186 1/20 0.33
HSP90AA1 P07900 1/20 0.33
ALPI P09923 1/20 0.33
ALPG P10696 1/20 0.33
G6PD P11413 1/20 0.33
POLB P06746 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
PTGS2 P35354 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
NPC1 O15118 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
SCHEMBL6789363 0.81 MEN1 (0.36) TNFRSF1AALDH1A1LMNAMEN1KMT2A
SCHEMBL50975 0.78
SCHEMBL28825581 0.76
SCHEMBL27944025 0.74 MEN1 (0.42) TNFRSF1AALDH1A1LMNAMEN1KMT2A
Ethylene SCHEMBL9455100 0.72 LMNA (0.36) LMNAPOLBMAPT
SCHEMBL569625 0.71 LMNA (0.43) ALDH1A1LMNAMEN1KMT2APTGS2
SCHEMBL4317739 0.71 TNFRSF1A (0.39) TNFRSF1AALDH1A1LMNAMEN1KMT2A
SCHEMBL29097726 0.70 DPP4 (0.52) TNFRSF1AALDH1A1MEN1KMT2AALPL
Ethylene SCHEMBL8532842 0.69 LMNA (0.41) ALDH1A1LMNAMEN1KMT2APTGS2
SCHEMBL3905460 0.69 LMNA (0.40) ALDH1A1LMNAMEN1KMT2AL3MBTL1

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-4427682-A ANTICOAGULANTS, ANTIINFLAMMATORY, HYPOTENSIVE, OR ANTIALLERGEN AGENTS ONO PHARMACEUTICAL CO., LTD. (JP) 1984-01-24 US disclosed
US-4317828-A ANTIINFLAMMATORY AGENTS, HYPOTENSIVE AGENTS ONO PHARMACEUTICAL CO., LTD. (JP) 1982-03-02 US disclosed
US-4271170-A THROMBOXANE SYNTHETASE ENZYME INHIBITOR USEFUL IN TREATING INFLAMMATION, HYPERTENSION, THROMBUS, CEREBRAL APOPLEXY, ASTHMA, AND CARDIOVASCULAR DISORDERS ONO PHARMACEUTICAL CO., LTD., (JP) 1981-06-02 US disclosed