SCHEMBL8544233

SCHEMBL8544233

COC(=O)CCn1cc(Cc2cccnc2)c2cc(C=CC(=O)O)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 6/20 0.50
POLB P06746 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PLA2G4A P47712 1/20 0.43
HDAC1 Q13547 5/20 0.41
HDAC8 Q9BY41 5/20 0.41
TRPM5 Q9NZQ8 1/20 0.40
HDAC3 O15379 3/20 0.39
THRB P10828 1/20 0.39
HDAC4 P56524 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39
KDM4E B2RXH2 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
SCHEMBL8544230 1.00 TBXAS1 (0.50) TBXAS1POLBMEN1KMT2AL3MBTL1
SCHEMBL8544039 0.83 TBXAS1 (0.52) TBXAS1HDAC1HDAC8TRPM5HDAC3
SCHEMBL8544402 0.83 TBXAS1 (0.56) TBXAS1PLA2G4A
SCHEMBL8544303 0.82 PTGDR2 (0.52) TBXAS1POLBMEN1KMT2AL3MBTL1
SCHEMBL8544309 0.82 PTGDR2 (0.52) TBXAS1POLBMEN1KMT2AL3MBTL1
SCHEMBL8542984 0.81 TBXAS1 (0.43) TBXAS1POLBMEN1KMT2AL3MBTL1
SCHEMBL8580528 0.81 TBXAS1 (0.51) TBXAS1HDAC1HDAC8TRPM5HDAC3
SCHEMBL8542991 0.81 TBXAS1 (0.43) TBXAS1POLBMEN1KMT2AL3MBTL1
SCHEMBL8538159 0.81 TBXAS1 (0.50) TBXAS1PLA2G4AHDAC1TRPM5HDAC3
SCHEMBL8543283 0.80 TBXAS1 (0.51) TBXAS1MEN1KMT2AKDM4EALDH1A1

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