SCHEMBL11313630

SCHEMBL11313630

Cc1cc(O)n(CCCO)c(=O)c1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
MAPT P10636 3/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
TSHR P16473 3/20 0.38
NOX4 Q9NPH5 1/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL7893096 0.89 KDM4E (0.53) KDM4EMAPTMEN1KMT2ATSHR
SCHEMBL10533316 0.86 ALDH1A1 (0.49) KDM4EMAPTMEN1KMT2ATSHR
SCHEMBL11318676 0.83 ADRA2A (0.47) KDM4EMAPTMEN1KMT2ATSHR
SCHEMBL10531764 0.81 POLB (0.43) KDM4EMAPTMEN1KMT2APOLB
SCHEMBL4811212 0.81 KDM4E (0.38) KDM4EMAPTMEN1KMT2APOLB
SCHEMBL10586953 0.81 ALDH1A1 (0.44) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL8913612 0.80 POLB (0.38) KDM4EMAPTMEN1KMT2ATSHR
SCHEMBL11310255 0.77 KDM4E (0.42) KDM4EMAPTMEN1KMT2ATSHR
SCHEMBL10587273 0.77 ALDH1A1 (0.49) KDM4EMAPTMEN1KMT2ATSHR
SCHEMBL11326890 0.77 IDH1 (0.37) KDM4EMAPTMEN1KMT2ATSHR

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
US-4247456-A Water-insoluble monoazo pyridone dye CASSELLA AKTIENGESELLSCHAFT (DE) 1981-01-27 US disclosed
US-3957749-A WATER-INSOLUBLE MONOAZO PYRIDINE DYES CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1976-05-18 US disclosed