SCHEMBL9522892

SCHEMBL9522892

CC(C)C(CCCCc1cccnc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 11/20 0.58
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
PTAFR P25105 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HRH1 P35367 2/20 0.48
CYP2A6 P11509 1/20 0.46
NAPRT Q6XQN6 1/20 0.46

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
SCHEMBL10399199 0.96 TBXAS1 (0.56) TBXAS1TDP1L3MBTL1PTAFRKDM4E
SCHEMBL10399198 0.96 TBXAS1 (0.56) TBXAS1TDP1L3MBTL1PTAFRKDM4E
SCHEMBL9522362 0.86 TBXAS1 (0.61) TBXAS1TDP1L3MBTL1PTAFRKDM4E
SCHEMBL27534729 0.84 TBXAS1 (0.62) TBXAS1TDP1L3MBTL1PTAFRKDM4E
Bicarbonate SCHEMBL9520631 0.83 TBXAS1 (0.64) TBXAS1TDP1L3MBTL1PTAFRHRH1
SCHEMBL7319532 0.82 MAPT (0.51)
SCHEMBL10398650 0.81 TBXAS1 (0.59) TBXAS1TDP1L3MBTL1PTAFRKDM4E
SCHEMBL9522427 0.81 TBXAS1 (0.63) TBXAS1TDP1L3MBTL1PTAFRKDM4E
SCHEMBL10398649 0.81 TBXAS1 (0.59) TBXAS1TDP1L3MBTL1PTAFRKDM4E
SCHEMBL9520415 0.80 TDP1 (0.59) TBXAS1TDP1L3MBTL1PTAFRKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0299379-B1 PENTADIENAMIDE PAF-ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1993-04-21 EP disclosed
EP-0299379-A1 Pentadienamide PAF-antagonists F. HOFFMANN-LA ROCHE AG (CH) 1989-01-18 EP disclosed