SCHEMBL11276271

SCHEMBL11276271

CC(C)(CCCCCCC(=O)O)n1ccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 16/20 1.00
TDP1 Q9NUW8 1/20 0.47
EGLN3 Q9H6Z9 1/20 0.42
TBXA2R P21731 1/20 0.41

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
Hydrochloric Acid SCHEMBL11275131 0.98 TBXAS1 (1.00) TBXAS1TDP1EGLN3
SCHEMBL11266178 0.87 TBXAS1 (0.77) TBXAS1TDP1EGLN3
Hydrochloric Acid SCHEMBL11278073 0.86 TBXAS1 (0.78) TBXAS1TDP1EGLN3
SCHEMBL11277878 0.82 TBXAS1 (0.69) TBXAS1TDP1TBXA2R
SCHEMBL5292390 0.79 TBXAS1 (0.65) TBXAS1TBXA2R
SCHEMBL27683088 0.79 TBXAS1 (0.65) TBXAS1TBXA2R
SCHEMBL5307325 0.79 TBXAS1 (0.65) TBXAS1TBXA2R
SCHEMBL5295951 0.79 TBXAS1 (0.65) TBXAS1TBXA2R
SCHEMBL21191570 0.79 TBXAS1 (0.65) TBXAS1TBXA2R
SCHEMBL27637869 0.79 TBXAS1 (0.65) TBXAS1TBXA2R

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