SCHEMBL8701903

SCHEMBL8701903

CC(N)CC(CC(=O)OC(C)(C)C)c1cccc(Cc2cccnc2)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 10/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
CYP3A4 P08684 3/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LTA4H P09960 1/20 0.35
RORC P51449 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
GPR132 Q9UNW8 1/20 0.34
SLC7A5 Q01650 1/20 0.34
CHRM1 P11229 1/20 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
SCHEMBL8701897 0.76 TBXAS1 (0.49) TBXAS1
SCHEMBL16178280 0.75 LMNA (0.42) L3MBTL1CYP3A4LMNASMN1; SMN2
SCHEMBL16178281 0.75 LMNA (0.42) L3MBTL1CYP3A4LMNASMN1; SMN2
SCHEMBL9386959 0.72 TBXAS1 (0.48) TBXAS1L3MBTL1KMT2ALMNAHPGD
SCHEMBL8307374 0.71 TBXAS1 (0.48) TBXAS1L3MBTL1LTA4H
SCHEMBL28300800 0.70 GABBR2 (0.40) SLC7A5
SCHEMBL9784190 0.69 NAPRT (0.57) CYP3A4LMNAHTTCYP1A2CYP2C9
SCHEMBL22035309 0.68 CYP3A4 (0.46) TBXAS1CYP3A4KMT2ALMNACYP1A2
SCHEMBL30191579 0.68 CYP3A4 (0.46) TBXAS1CYP3A4KMT2ALMNACYP1A2
SCHEMBL6243723 0.67 KCNA5 (0.42) TBXAS1L3MBTL1LMNASMN1; SMN2

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-5705523-A THROMBOXANE A2 SYNTHETASE INHIBITORS PFIZER INC. (US) 1998-01-06 US disclosed