SCHEMBL11273054

SCHEMBL11273054

CCOC(=O)CCC(C)(C)n1ccnc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 14/20 0.56
ALDH1A1 P00352 2/20 0.40
ABL1 P00519 1/20 0.40
RIN1 Q13671 1/20 0.40
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
MITF O75030 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TNF P01375 1/20 0.34
CYP1A2 P05177 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
SCHEMBL11277878 0.89 TBXAS1 (0.69) TBXAS1ALDH1A1ABL1RIN1CYP1A2
SCHEMBL4123167 0.85 TBXAS1 (0.48) TBXAS1ALDH1A1ABL1RIN1KDM4E
SCHEMBL11266178 0.80 TBXAS1 (0.77) TBXAS1ALDH1A1
Hydrochloric Acid SCHEMBL11278073 0.78 TBXAS1 (0.78) TBXAS1ALDH1A1
SCHEMBL3278701 0.76 TBXAS1 (0.44) TBXAS1ALDH1A1KDM4EMEN1MITF
SCHEMBL11274821 0.75 TBXAS1 (0.72) TBXAS1ALDH1A1KDM4EMEN1MITF
SCHEMBL11274819 0.75 TBXAS1 (0.72) TBXAS1ALDH1A1KDM4EMEN1MITF
SCHEMBL4342783 0.73 TBXAS1 (0.54) TBXAS1CYP1A2
Bicarbonate SCHEMBL29201379 0.73 TBXAS1 (0.58) TBXAS1ALDH1A1
SCHEMBL4123092 0.72 TBXAS1 (0.57) 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 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