SCHEMBL9623152

SCHEMBL9623152

O=C(O)c1cc(Cl)c2[nH]c3c(c2c1C(=O)O)CCCC3

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.48
HSD17B10 Q99714 4/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.40
KMT2A Q03164 4/20 0.39
ALOX15 P16050 3/20 0.39
MAPK1 P28482 3/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 3/20 0.39
IKBKB O14920 1/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
MAPK10 P53779 1/20 0.39
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37
EGFR P00533 1/20 0.34

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
SCHEMBL19279137 0.80 GFER (0.47) GFERHSD17B10ALDH1A1KDM4EHPGD
SCHEMBL9623026 0.79 USP2 (0.47) GFERHSD17B10ALDH1A1KDM4EHPGD
SCHEMBL11732994 0.77 GFER (0.57) GFERHSD17B10ALDH1A1KDM4EHPGD
SCHEMBL11742170 0.71 GFER (0.61) GFERHSD17B10ALDH1A1KDM4EHPGD
SCHEMBL4725291 0.71 GFER (0.50) GFERHSD17B10ALDH1A1KDM4EHPGD
SCHEMBL4029160 0.71 GFER (0.47) GFERHSD17B10ALDH1A1KDM4EHPGD
SCHEMBL19279306 0.70 ALOX15 (0.59) GFERHSD17B10ALDH1A1KMT2AALOX15
SCHEMBL11742569 0.70 GFER (0.58) GFERHSD17B10ALDH1A1KDM4EHPGD
SCHEMBL148202 0.69 GFER (0.57) GFERHSD17B10ALDH1A1KDM4EHPGD
SCHEMBL4029984 0.69 GFER (0.50) GFERHSD17B10ALDH1A1KDM4EHPGD

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-5166204-A ISOINDOLE DERIVATIVES AND SALTS THEREOF AND ANTITUMOR AGENT COMPRISING THE SAME TOYAMA CHEMICAL CO., LTD. (JP) 1992-11-24 US disclosed