SCHEMBL11299394

SCHEMBL11299394

Cc1ccc(-c2c(-c3ccccc3)c3c(c(-c4ccccc4)c2-c2ccc(Cl)cc2)C(=O)OC3=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
MAPT P10636 3/20 0.45
HPGD P15428 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
ALOX5 P09917 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
POLB P06746 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41

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
SCHEMBL1902220 0.81 MAPT (0.55) MAPTHPGDALDH1A1KDM4ETDP1
SCHEMBL2778432 0.79 MAPT (0.57) MAPTHPGDALDH1A1KDM4EKMT2A
SCHEMBL20160819 0.79 ALDH1A1 (0.50) CYP1A2MAPTHPGDALDH1A1KDM4E
SCHEMBL14905571 0.77 CYP1A2 (0.54) CYP1A2MAPTHPGDALDH1A1KDM4E
SCHEMBL10519343 0.75 ALDH1A1 (0.54) CYP1A2MAPTALDH1A1KDM4EMEN1
SCHEMBL4681014 0.72 NR1H4 (0.46) HPGDALDH1A1KDM4ETDP1L3MBTL1
SCHEMBL25444953 0.72 CYP1A2 (0.56) CYP1A2MAPTHPGDALDH1A1KDM4E
SCHEMBL18919401 0.71 MAPT (0.48) CYP1A2MAPTALDH1A1KDM4ETDP1
SCHEMBL1899869 0.71 HTT (0.48) MAPTHPGDALDH1A1MEN1KMT2A
SCHEMBL30753514 0.71 MAPT (0.48) CYP1A2MAPTALDH1A1KDM4ETDP1

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
JP-57063361-A None JP disclosed
JP-S5763361-A NOVEL PHTHALIDE DERIVATIVE AND COLORANT FOR ORGANIC MATERIAL MITSUI TOATSU CHEM INC 1982-04-16 JP disclosed