SCHEMBL10399199

SCHEMBL10399199

CC(C)[C@@H](CCCc1cccnc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 11/20 0.56
PTAFR P25105 4/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 1/20 0.49
CYP2A6 P11509 1/20 0.47
NAPRT Q6XQN6 1/20 0.47

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
SCHEMBL10399198 1.00 TBXAS1 (0.56) TBXAS1PTAFRTDP1L3MBTL1KDM4E
SCHEMBL9522892 0.96 TBXAS1 (0.58) TBXAS1PTAFRTDP1L3MBTL1KDM4E
SCHEMBL10398649 0.85 TBXAS1 (0.59) TBXAS1PTAFRTDP1L3MBTL1KDM4E
SCHEMBL10398650 0.85 TBXAS1 (0.59) TBXAS1PTAFRTDP1L3MBTL1KDM4E
SCHEMBL9709457 0.83 TBXAS1 (0.64) TBXAS1PTAFRTDP1L3MBTL1KDM4E
SCHEMBL3252245 0.83 GRIK1 (0.51)
SCHEMBL10398952 0.82 TBXAS1 (0.62) TBXAS1TDP1L3MBTL1KDM4ECYP2A6
SCHEMBL9522362 0.81 TBXAS1 (0.61) TBXAS1PTAFRTDP1L3MBTL1KDM4E
SCHEMBL27534729 0.80 TBXAS1 (0.62) TBXAS1PTAFRTDP1L3MBTL1KDM4E
SCHEMBL9522427 0.79 TBXAS1 (0.63) TBXAS1PTAFRTDP1L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4975438-A ANTICOAGULANT HOFFMANN-LA ROCHE INC. (US) 1990-12-04 US disclosed
US-4927838-A CARDIOVASCULAR DISORDERS HOFFMAN-LA ROCHE INC. (US) 1990-05-22 US disclosed
US-4927826-A Cycloproylpropenamides useful as platelet activing factor (PAF) antagonists HOFFMAN-LA ROCHE INC. (US) 1990-05-22 US disclosed
US-4916145-A PLATELET ACTIVATING FACTOR ANTAGONISTS HOFFMANN-LA ROCHE INC. (US) 1990-04-10 US disclosed
US-4788206-A CARDIOVASCULAR DISORDERS, PLATELETS HOFFMANN-LA ROCHE INC. (US) 1988-11-29 US disclosed
US-4786646-A PLATELET ACTIVATING FACTOR ANTAGONISTS HOFFMANN-LA ROCHE INC. (US) 1988-11-22 US disclosed