SCHEMBL8544258

SCHEMBL8544258

COC(=O)CCn1cc(Cc2cccnc2)c2cc(CCC(=O)OC(C)(C)C)ccc21

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 5/20 0.47
CNR2 P34972 2/20 0.39
LTA4H P09960 1/20 0.38
PLA2G4A P47712 2/20 0.38
CYP3A4 P08684 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
NTRK1 P04629 1/20 0.36
CNR1 P21554 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL8537545 0.90 CYP3A4 (0.47) TBXAS1CYP3A4
SCHEMBL8544402 0.89 TBXAS1 (0.56) TBXAS1PLA2G4A
SCHEMBL8538159 0.88 TBXAS1 (0.50) TBXAS1CNR2LTA4HPLA2G4AHDAC3
Trifluoroacetic Acid SCHEMBL9221603 0.87 TBXAS1 (0.55) TBXAS1PLA2G4A
Trifluoroacetic Acid SCHEMBL9034373 0.84 TBXAS1 (0.49) TBXAS1CNR2LTA4HPLA2G4AHDAC3
SCHEMBL8544695 0.83 TRPM5 (0.40) TBXAS1CNR2LTA4HCYP3A4CNR1
SCHEMBL8544039 0.83 TBXAS1 (0.52) TBXAS1CNR2LTA4HHDAC3HDAC1
SCHEMBL8543141 0.82 TBXAS1 (0.46) TBXAS1CNR2LTA4HKDM4ELMNA
SCHEMBL8541177 0.82 TBXAS1 (0.54) TBXAS1LTA4H
SCHEMBL8543283 0.80 TBXAS1 (0.51) TBXAS1CNR2CNR1KDM4E

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 4 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
US-5744488-A 1-CARBOXYALKYL-3-ALKYL OR PHENYL-5-ORGANOSULFONAMIDE OR -AMIDE INDOLES; ATHERSCLEROSIS; ANGINA; PREVENTING ANGIOPLASTY OCCULSION; THROMBOXANE SYNTHETASE INHIBITORS PFIZER INC. (US) 1998-04-28 US 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