SCHEMBL8091013

SCHEMBL8091013

OCCOCCOc1cccc2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.69
ALDH1A1 P00352 4/20 0.69
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
HTR1B P28222 11/20 0.62
HTR1D P28221 3/20 0.62
KCNA3 P22001 1/20 0.56
SLC6A4 P31645 2/20 0.53
HRH1 P35367 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
HPGD P15428 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
USP2 O75604 1/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL16021973 1.00 KDM4E (0.69) KDM4EALDH1A1MEN1KMT2AHTR1B
SCHEMBL16021963 1.00 KDM4E (0.69) KDM4EALDH1A1MEN1KMT2AHTR1B
SCHEMBL16021983 1.00 KDM4E (0.69) KDM4EALDH1A1MEN1KMT2AHTR1B
SCHEMBL16021969 1.00 KDM4E (0.69) KDM4EALDH1A1MEN1KMT2AHTR1B
SCHEMBL8642238 0.91 HTR1B (0.69) KDM4EALDH1A1MEN1KMT2AHTR1B
SCHEMBL8674828 0.91 HTR1B (0.69) KDM4EALDH1A1MEN1KMT2AHTR1B
SCHEMBL1023529 0.89 HTR1B (0.70) KDM4EALDH1A1MEN1KMT2AHTR1B
SCHEMBL5574264 0.89 KMT2A (0.55) KDM4EALDH1A1MEN1KMT2AHTR1B
SCHEMBL14537076 0.87 IDO1 (0.58) KDM4EALDH1A1MEN1KMT2AHTR1B
SCHEMBL5161287 0.87 HTR1B (0.68) KDM4EALDH1A1MEN1KMT2AHTR1B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0830354-B1 CHEMICAL COMPLEXES BRITISH NUCLEAR FUELS PLC (GB) 2000-11-15 EP claimed
US-5069682-A ORANGE SHADES ON POLYESTERS CASSELLA AKTIENGESELLSCHAFT (DE) 1991-12-03 US disclosed
US-4921505-A Process for the preparation of new crystal modification of an azo dyestuff CASSELLA AKTIENGESELLSCHAFT (DE) 1990-05-01 US disclosed