SCHEMBL11277878

SCHEMBL11277878

CCOC(=O)CCCCCCC(C)(C)n1ccnc1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 13/20 0.69
ALDH1A1 P00352 3/20 0.47
ABL1 P00519 1/20 0.47
RIN1 Q13671 1/20 0.47
ALOX15 P16050 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP1A2 P05177 1/20 0.37
GAA P10253 1/20 0.37
USP2 O75604 1/20 0.36
TBXA2R P21731 1/20 0.36

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
SCHEMBL11273054 0.89 TBXAS1 (0.56) TBXAS1ALDH1A1ABL1RIN1CYP1A2
SCHEMBL11276271 0.82 TBXAS1 (1.00) TBXAS1TDP1TBXA2R
SCHEMBL4123167 0.80 TBXAS1 (0.48) TBXAS1ALDH1A1ABL1RIN1CYP1A2
SCHEMBL27637869 0.77 TBXAS1 (0.65) TBXAS1CYP3A4CYP1A2TBXA2R
SCHEMBL27683088 0.77 TBXAS1 (0.65) TBXAS1CYP3A4CYP1A2TBXA2R
SCHEMBL5307325 0.77 TBXAS1 (0.65) TBXAS1CYP3A4CYP1A2TBXA2R
SCHEMBL21191570 0.77 TBXAS1 (0.65) TBXAS1CYP3A4CYP1A2TBXA2R
SCHEMBL27663546 0.77 TBXAS1 (0.65) TBXAS1CYP3A4CYP1A2TBXA2R
SCHEMBL9716291 0.75 TBXAS1 (0.63) TBXAS1ALDH1A1ABL1RIN1
SCHEMBL11572618 0.75 TBXAS1 (0.63) TBXAS1ALDH1A1ABL1RIN1

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-4355170-A ANTIINFLAMMATORY, HYPERTENSIVE, ANTIASTHMATIC AGENTS, A THROMBOXANE SYNTHETASE INHIBITORS ONO PHARMACEUTICAL CO., LTD. (JP) 1982-10-19 US claimed
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