SCHEMBL11281124

SCHEMBL11281124

CCOC(=O)C=CC(C)(C)n1ccnc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 9/20 0.44
HCAR2 Q8TDS4 1/20 0.39
MAPT P10636 4/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
MITF O75030 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
XPO1 O14980 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
SCHEMBL11281092 1.00 TBXAS1 (0.44) TBXAS1HCAR2MAPTKDM4EMEN1
SCHEMBL11274821 0.78 TBXAS1 (0.72) TBXAS1HCAR2MAPTKDM4EMEN1
SCHEMBL11274819 0.78 TBXAS1 (0.72) TBXAS1HCAR2MAPTKDM4EMEN1
SCHEMBL3278701 0.76 TBXAS1 (0.44) TBXAS1MAPTKDM4EMEN1MITF
SCHEMBL12130352 0.74 HCAR2 (0.42) TBXAS1HCAR2MAPTKDM4EMEN1
SCHEMBL12130354 0.74 HCAR2 (0.42) TBXAS1HCAR2MAPTKDM4EMEN1
SCHEMBL27877737 0.73 HCAR2 (0.49) TBXAS1HCAR2MAPTKDM4EMEN1
SCHEMBL4123167 0.73 TBXAS1 (0.48) TBXAS1MAPTKDM4EMEN1MITF
SCHEMBL11273054 0.71 TBXAS1 (0.56) TBXAS1MAPTKDM4EMEN1MITF
SCHEMBL3594049 0.69 HCAR2 (0.56) HCAR2MAPTALDH1A1CA12CA1

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 2 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 disclosed
US-4256757-A ANTIINFLAMMATORY AND HYPOTENSIVE AGENTS; THROMBOSIS; ASTHMA; NERVOUS SYSTEM DISORDERS ONO PHARMACEUTICAL CO., LTD. 1981-03-17 US disclosed