SCHEMBL8544713

SCHEMBL8544713

CC(C)CC(=O)NCCc1ccc2c(c1)c(Cc1cccnc1)c(CCC(=O)O)n2C

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 15/20 0.51
PTGDR2 Q9Y5Y4 1/20 0.43
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
KCNA5 P22460 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL8541916 0.82 TBXAS1 (0.55) TBXAS1KCNA5L3MBTL1
SCHEMBL8542287 0.82 TBXAS1 (0.65) TBXAS1PTGDR2
SCHEMBL8543330 0.81 TBXAS1 (0.46) TBXAS1ALDH1A1CYP1A2HPGDKCNA5
SCHEMBL8578689 0.80 HPGD (0.44) TBXAS1PTGDR2ALDH1A1CYP1A2CYP2C9
SCHEMBL8304970 0.79 TBXAS1 (0.69) TBXAS1
SCHEMBL8543141 0.76 TBXAS1 (0.46) TBXAS1ALDH1A1KCNA5
SCHEMBL13774769 0.74 KMT2A (0.56) ALDH1A1CYP1A2CYP2C9HPGDKCNA5
SCHEMBL8543137 0.73 TLR7 (0.42) TBXAS1ALDH1A1KCNA5
SCHEMBL8539545 0.71 TBXAS1 (0.67) TBXAS1PTGDR2
SCHEMBL8544227 0.71 TBXAS1 (0.46) TBXAS1ALDH1A1CYP1A2CYP2C9HPGD

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
EP-0715627-B1 INDOLE DERIVATIVES AS THROMBOXANE A2 ANTAGONISTS PFIZER LTD (GB) 1998-09-09 EP claimed