SCHEMBL11533644

SCHEMBL11533644

Oc1ccc2ccccc2c1C(c1cccc(C(O)O)c1)c1c(O)ccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
AHR P35869 1/20 0.42
PTPN22 Q9Y2R2 1/20 0.42
NQO1 P15559 2/20 0.41
NPSR1 Q6W5P4 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
GAA P10253 1/20 0.40
CYP1A2 P05177 2/20 0.40
ERN1 O75460 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40
USP2 O75604 1/20 0.39
PAK1 Q13153 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL11535746 0.86 CTDSP1 (0.47) MEN1KMT2AALDH1A1KDM4EAHR
SCHEMBL11537803 0.86 MEN1 (0.48) MEN1KMT2AALDH1A1KDM4EAHR
SCHEMBL9423648 0.83 MEN1 (0.56) MEN1KMT2AALDH1A1KDM4EAHR
SCHEMBL30738449 0.83 MEN1 (0.56) MEN1KMT2AALDH1A1KDM4EAHR
SCHEMBL11539377 0.83 MEN1 (0.45) MEN1KMT2AALDH1A1KDM4EAHR
SCHEMBL11540612 0.83 GAA (0.45) MEN1KMT2AALDH1A1KDM4EAHR
SCHEMBL11535741 0.83 POLB (0.46) MEN1KMT2AALDH1A1KDM4EAHR
SCHEMBL11537513 0.82 NQO1 (0.54) MEN1KMT2AALDH1A1KDM4EAHR
SCHEMBL11535617 0.80 AHR (0.56) MEN1KMT2AALDH1A1KDM4EAHR
SCHEMBL9423774 0.78 MEN1 (0.49) MEN1KMT2AALDH1A1KDM4EAHR

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-4147806-A Anti-inflammatory and analgesic medicaments LABORATOIRES CREAT (FR) 1979-04-03 US disclosed