SCHEMBL7741883

SCHEMBL7741883

CC1CC2OC2CC1CC(CCCC(=O)O)(CC1CC2OC2CC1C)C(=O)O.O=C(O)CCCC(CC1CCC2OC2C1)(CC1CCC2OC2C1)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.30

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
SCHEMBL285295 0.91 ALOX5 (0.32)
SCHEMBL5275462 0.89
SCHEMBL134571 0.89 TBXA2R (0.33) TBXA2R
Adipic Acid SCHEMBL30510690 0.88 ITGB3 (0.35) TBXA2R
SCHEMBL11889372 0.88
SCHEMBL8218140 0.86
SCHEMBL8630793 0.86 ALOX5 (0.33)
SCHEMBL467526 0.85 ITGB3 (0.35) TBXA2R
SCHEMBL6755796 0.85
SCHEMBL19665815 0.84 ITGB3 (0.34) TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6417243-B1 POLYESTERURETHANE BLOCKS UCB, S.A. (BE) 2002-07-09 US disclosed