SCHEMBL8977053

SCHEMBL8977053

COc1ccc(C(=O)C(C#N)=Cc2ccc(O)cc2)c(O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
CYP3A4 P08684 4/20 0.51
HPGD P15428 3/20 0.51
CISD1 Q9NZ45 1/20 0.51
KDM4E B2RXH2 1/20 0.51
SLC16A3 O15427 1/20 0.51
SLC16A1 P53985 1/20 0.51
GPR35 Q9HC97 1/20 0.51
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
MAPK1 P28482 3/20 0.50
MAPT P10636 3/20 0.50
LMNA P02545 2/20 0.50
ABCG2 Q9UNQ0 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
APP P05067 1/20 0.50
CYP2C19 P33261 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KLK7 P49862 2/20 0.49

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
SCHEMBL9852390 0.91 LMNA (0.56) ALDH1A1CYP3A4HPGDKDM4EKMT2A
SCHEMBL8976998 0.83 ALDH1A1 (0.55) ALDH1A1CYP3A4HPGDCISD1KDM4E
SCHEMBL8976994 0.83 ALDH1A1 (0.55) ALDH1A1CYP3A4HPGDCISD1KDM4E
SCHEMBL8965376 0.83 ALDH1A1 (0.55) ALDH1A1CYP3A4HPGDCISD1KDM4E
SCHEMBL13060197 0.80 ALDH1A1 (0.64) ALDH1A1CYP3A4HPGDCISD1KDM4E
SCHEMBL9246430 0.76 LMNA (0.59) ALDH1A1CYP3A4HPGDKMT2AMEN1
SCHEMBL10493533 0.76 ABCG2 (0.58) ALDH1A1CYP3A4HPGDKDM4EKMT2A
SCHEMBL13060202 0.74 MAPT (0.72) ALDH1A1CYP3A4HPGDKDM4EKMT2A
SCHEMBL4968638 0.73 ALDH1A1 (0.65) ALDH1A1CYP3A4HPGDCISD1KDM4E
SCHEMBL13376833 0.73 ALDH1A1 (0.65) ALDH1A1CYP3A4HPGDCISD1KDM4E

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
EP-0428398-B1 Radiation-sensitive resin composition JAPAN SYNTHETIC RUBBER CO LTD (JP) 1996-04-03 EP disclosed