SCHEMBL11071275

SCHEMBL11071275

C=CCNc1ccccc1C(=O)C(C(C)=O)C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TP53 P04637 1/20 0.43
LMNA P02545 4/20 0.41
MAPT P10636 1/20 0.39
KDM4E B2RXH2 4/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 1/20 0.39
HPGD P15428 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 2/20 0.38
GAA P10253 1/20 0.38
DHODH Q02127 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL11155682 0.80 TSHR (0.57) ALDH1A1L3MBTL1TP53LMNAMAPT
SCHEMBL11301916 0.78 AURKA (0.40) ALDH1A1TP53MAPTCYP2C19TSHR
SCHEMBL11067487 0.76 SMN1; SMN2 (0.41) ALDH1A1LMNAMAPTKDM4ECYP1A2
SCHEMBL28409108 0.75 ALDH1A1 (0.48) ALDH1A1L3MBTL1TP53LMNAMAPT
SCHEMBL2510669 0.74 MAPT (0.48) ALDH1A1L3MBTL1TP53LMNAMAPT
SCHEMBL11163042 0.73 TSHR (0.46) ALDH1A1TP53LMNAHPGDTSHR
SCHEMBL11062628 0.73 KDM4E (0.62) ALDH1A1L3MBTL1LMNAMAPTKDM4E
SCHEMBL5180569 0.73 GAA (0.48) ALDH1A1L3MBTL1TP53LMNAMAPT
SCHEMBL11299103 0.72 NLRP3 (0.39) ALDH1A1L3MBTL1TP53LMNAMAPT
SCHEMBL11788534 0.72 CDC25B (0.57) ALDH1A1L3MBTL1KDM4EHPGDTSHR

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-4440940-A HYPOLIPIDEMIC AND ANTIATHEROSCLEROTIC AGENTS AMERICAN CYANAMID COMPANY (US) 1984-04-03 US disclosed