SCHEMBL11066566

SCHEMBL11066566

CCOC(C)OCC.O=Cc1ccc(Cc2cccnc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 14/20 0.52
ALDH1A1 P00352 2/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GRM2 Q14416 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 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
Ethylene SCHEMBL10686325 0.89 TBXAS1 (0.41) TBXAS1ALDH1A1TP53POLBTDP1
SCHEMBL8807237 0.84 TBXAS1 (0.65) TBXAS1ALDH1A1
Ethylene SCHEMBL10683429 0.81 CYP11B1 (0.46) ALDH1A1NPSR1CHRNB2CHRNA4
Ethylene SCHEMBL10685834 0.79 TDP1 (0.39) TBXAS1ALDH1A1TP53POLBTDP1
SCHEMBL11068717 0.79 SMN1; SMN2 (0.49) TBXAS1ALDH1A1GRM2
SCHEMBL11062743 0.77 KCNA5 (0.41) ALDH1A1TDP1
4-Formylpyridine SCHEMBL2639850 0.77 LMNA (0.43) ALDH1A1NPSR1
SCHEMBL11066568 0.76 TBXAS1 (0.49) TBXAS1ALDH1A1TP53POLBTDP1
Ethylene SCHEMBL6226363 0.75 LMNA (0.48) ALDH1A1
Ethylene SCHEMBL10685172 0.74 ALOX5 (0.44) CHRNB2CHRNA4

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