SCHEMBL9716291

SCHEMBL9716291

CCOC(=O)CCCCCn1ccnc1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 18/20 0.63
ALDH1A1 P00352 1/20 0.56
ABL1 P00519 1/20 0.56
RIN1 Q13671 1/20 0.56

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
SCHEMBL11572618 1.00 TBXAS1 (0.63) TBXAS1ALDH1A1ABL1RIN1
SCHEMBL14499226 0.98 TBXAS1 (0.60) TBXAS1ALDH1A1ABL1RIN1
SCHEMBL941695 0.94 TBXAS1 (0.56) TBXAS1ALDH1A1ABL1RIN1
SCHEMBL9786222 0.89 TBXAS1 (0.69) TBXAS1ALDH1A1
SCHEMBL47374 0.88 TBXAS1 (0.59) TBXAS1ALDH1A1ABL1RIN1
SCHEMBL7824835 0.87 TBXAS1 (0.55) TBXAS1ALDH1A1ABL1RIN1
SCHEMBL29729354 0.86 TBXAS1 (0.63) TBXAS1
SCHEMBL7444582 0.85 TBXAS1 (0.67) TBXAS1
SCHEMBL11223282 0.85 TBXAS1 (0.67) TBXAS1
SCHEMBL11221333 0.85 TBXAS1 (0.67) TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-54109973-A None JP disclosed
US-5103007-A Antitumor agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-04-07 US disclosed
US-5081245-A Selective antitumor agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-01-14 US disclosed
EP-0378763-A1 Lipids, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-07-25 EP disclosed
EP-0356765-A2 Carboxylic acid derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-03-07 EP disclosed
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
JP-S54109973-A NOVEL IMIDAZOLE DERIVATIVE KISSEI PHARMACEUT CO LTD 1979-08-29 JP disclosed