SCHEMBL8541010

SCHEMBL8541010

COC(=O)CCn1c(C)c(Cn2ccnc2)c2cc(C=CC(=O)O)ccc21

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 16/20 0.55
CYP1A2 P05177 2/20 0.49
USP2 O75604 1/20 0.49
LMNA P02545 1/20 0.49
MEN1 O00255 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP19A1 P11511 1/20 0.40

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
SCHEMBL8541003 1.00 TBXAS1 (0.55) TBXAS1CYP1A2USP2LMNAMEN1
SCHEMBL8541166 0.82 TBXAS1 (0.66) TBXAS1
SCHEMBL8544213 0.81 TBXAS1 (0.54) TBXAS1CYP1A2USP2LMNAMEN1
SCHEMBL8544216 0.81 TBXAS1 (0.54) TBXAS1CYP1A2USP2LMNAMEN1
SCHEMBL8582880 0.81 TBXAS1 (0.56) TBXAS1CYP19A1
SCHEMBL8544303 0.81 PTGDR2 (0.52) TBXAS1MEN1KMT2A
SCHEMBL8544309 0.81 PTGDR2 (0.52) TBXAS1MEN1KMT2A
SCHEMBL8582800 0.80 TBXAS1 (0.55) TBXAS1CYP19A1
SCHEMBL8543306 0.75 TBXAS1 (0.85) TBXAS1
SCHEMBL8539405 0.75 TBXAS1 (0.53) TBXAS1CYP19A1

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
EP-0715627-B1 INDOLE DERIVATIVES AS THROMBOXANE A2 ANTAGONISTS PFIZER LTD (GB) 1998-09-09 EP disclosed
EP-0715627-A1 INDOLE DERIVATIVES AS THROMBOXANE A2 ANTAGONISTS Pfizer Limited (GB) 1996-06-12 EP disclosed
WO-1995006046-A1 INDOLE DERIVATIVES AS THROMBOXANE A2 ANTAGONISTS PFIZER LIMITED (GB) 1995-03-02 WO disclosed