SCHEMBL10909487

SCHEMBL10909487

CN(C)CCSC1c2ccccc2COc2ccc(C#N)cc21

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 10/20 0.51
TBXAS1 P24557 4/20 0.51

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
SCHEMBL10879569 0.84 TBXA2R (0.54) TBXA2RTBXAS1
SCHEMBL10880320 0.83 TBXA2R (0.53) TBXA2RTBXAS1
SCHEMBL10877858 0.82 TBXA2R (0.52) TBXA2RTBXAS1
SCHEMBL10909485 0.80 TBXA2R (0.38) TBXA2RTBXAS1
SCHEMBL10912315 0.79 TBXA2R (0.77) TBXA2RTBXAS1
SCHEMBL10911028 0.78 TBXA2R (0.75) TBXA2RTBXAS1
Acetic Acid SCHEMBL10911527 0.78 TBXA2R (0.74) TBXA2RTBXAS1
SCHEMBL10911026 0.78 TBXA2R (0.63) TBXA2RTBXAS1
SCHEMBL10879243 0.77 TBXA2R (0.47) TBXA2RTBXAS1
SCHEMBL10925724 0.77 TBXA2R (0.50) TBXA2RTBXAS1

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-4596804-A ANTIALLERGENS KYOWA HAKKO KOGYO CO., LTD. (JP) 1986-06-24 US claimed
EP-0130555-A2 Dibenz (b,e) oxepin derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1985-01-09 EP claimed
EP-0130555-A2 Dibenz (b,e) oxepin derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1985-01-09 EP disclosed