SCHEMBL9699510

SCHEMBL9699510

Cc1c(C)c(Br)c(C)c(C(CCCCCC(=O)O)c2ccc(F)cc2)c1O

nearest known ligand 0.82

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 4/20 0.82
TBXAS1 P24557 1/20 0.38
SLC6A3 Q01959 3/20 0.36
KCNH2 Q12809 2/20 0.36
LMNA P02545 1/20 0.34
FOLH1 Q04609 3/20 0.34
CACNA1B Q00975 2/20 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
SCHEMBL8743288 0.85 TBXA2R (0.80) TBXA2RTBXAS1SLC6A3KCNH2LMNA
SCHEMBL8743202 0.85 TBXA2R (0.80) TBXA2RTBXAS1SLC6A3KCNH2LMNA
SCHEMBL8743215 0.85 TBXA2R (0.80) TBXA2RTBXAS1SLC6A3KCNH2LMNA
SCHEMBL8743284 0.85 TBXA2R (0.80) TBXA2RTBXAS1SLC6A3KCNH2LMNA
SCHEMBL8742932 0.84 TBXA2R (1.00) TBXA2RTBXAS1SLC6A3KCNH2LMNA
SCHEMBL8742936 0.84 TBXA2R (1.00) TBXA2RTBXAS1SLC6A3KCNH2LMNA
SCHEMBL9509263 0.84 TBXA2R (0.79) TBXA2RTBXAS1SLC6A3KCNH2LMNA
SCHEMBL9509249 0.84 TBXA2R (0.79) TBXA2RTBXAS1SLC6A3KCNH2LMNA
SCHEMBL9700848 0.84 TBXA2R (0.79) TBXA2RTBXAS1SLC6A3KCNH2LMNA
SCHEMBL8743182 0.82 TBXA2R (0.76) TBXA2RTBXAS1SLC6A3KCNH2LMNA

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-5162571-A Phenol derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-11-10 US disclosed