SCHEMBL9426671

SCHEMBL9426671

Cc1cc(C)c2c(C(=O)O)c3c(C)cc(C)cc3nc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 4/20 0.42
POLB P06746 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
ELANE P08246 2/20 0.40
TPMT P51580 1/20 0.39
IGFBP3 P17936 1/20 0.38
DHODH Q02127 2/20 0.38
CYP3A4 P08684 1/20 0.37
ACHE P22303 1/20 0.37
PDE10A Q9Y233 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL3903336 0.85 PDE10A (0.54) ALDH1A1SMN1; SMN2KDM4EPOLBDHODH
SCHEMBL9426414 0.82 DHODH (0.44) DHODHPDE10ATSHRPRNPPPARG
SCHEMBL9426410 0.76 MAPT (0.44) ALDH1A1KDM4EPOLBMAPTMEN1
SCHEMBL3333058 0.75 IGFBP3 (0.47) ALDH1A1KDM4EELANETPMTIGFBP3
SCHEMBL13024501 0.75 KDM4E (0.43) ALDH1A1KDM4EPOLBL3MBTL1ELANE
SCHEMBL21870 0.74 KDM4E (0.55) ALDH1A1MAPK1SMN1; SMN2KDM4EPOLB
SCHEMBL377596 0.74 KDM4E (0.55) ALDH1A1MAPK1SMN1; SMN2KDM4EPOLB
SCHEMBL6912704 0.72 KDM4E (0.53) ALDH1A1MAPK1SMN1; SMN2KDM4EPOLB
SCHEMBL17558193 0.72 KDM4E (0.53) ALDH1A1MAPK1SMN1; SMN2KDM4EPOLB
SCHEMBL6917032 0.72 KDM4E (0.53) ALDH1A1MAPK1SMN1; SMN2KDM4EPOLB

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-5321136-A Peri substituted fused ring chemiluminescent labels and their conjugates, and assays therefrom LONDON DIAGNOSTICS, INC. (US) 1994-06-14 US disclosed