SCHEMBL8976994

SCHEMBL8976994

COc1ccc(C(=O)/C(C#N)=C/c2ccc(O)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.55
KDM4E B2RXH2 5/20 0.55
CYP3A4 P08684 3/20 0.55
HPGD P15428 3/20 0.55
CISD1 Q9NZ45 1/20 0.55
SLC16A3 O15427 1/20 0.55
SLC16A1 P53985 1/20 0.55
GPR35 Q9HC97 1/20 0.55
KMT2A Q03164 6/20 0.54
MEN1 O00255 5/20 0.54
EGFR P00533 3/20 0.53
ERBB2 P04626 3/20 0.53
MAPT P10636 6/20 0.53
CYP1A2 P05177 2/20 0.53
APEX1 P27695 2/20 0.53
BLM P54132 2/20 0.53
PMP22 Q01453 2/20 0.53
TSHR P16473 1/20 0.53
NFKB1 P19838 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53

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
SCHEMBL8965376 1.00 ALDH1A1 (0.55) ALDH1A1KDM4ECYP3A4HPGDCISD1
SCHEMBL8976998 1.00 ALDH1A1 (0.55) ALDH1A1KDM4ECYP3A4HPGDCISD1
SCHEMBL14103907 0.89 EGFR (0.64) ALDH1A1KDM4ECYP3A4HPGDKMT2A
SCHEMBL13412689 0.87 ALDH1A1 (0.68) ALDH1A1KDM4ECYP3A4HPGDKMT2A
SCHEMBL14104052 0.87 ALDH1A1 (0.68) ALDH1A1KDM4ECYP3A4HPGDKMT2A
SCHEMBL13060197 0.87 ALDH1A1 (0.64) ALDH1A1KDM4ECYP3A4HPGDCISD1
SCHEMBL8965854 0.84 ALDH1A1 (0.50) ALDH1A1KDM4ECYP3A4HPGDKMT2A
SCHEMBL8977053 0.83 ALDH1A1 (0.51) ALDH1A1KDM4ECYP3A4HPGDCISD1
SCHEMBL8977055 0.83 MIF (0.56) ALDH1A1KDM4ECYP3A4HPGDKMT2A
SCHEMBL8965681 0.82 ALDH1A1 (0.50) ALDH1A1KDM4ECYP3A4HPGDKMT2A

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
EP-0428398-B1 Radiation-sensitive resin composition JAPAN SYNTHETIC RUBBER CO LTD (JP) 1996-04-03 EP claimed
US-5110706-A Photoresists for highly reflective substrates JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1992-05-05 US disclosed