SCHEMBL11577421

SCHEMBL11577421

c1ccc2c(OC(Oc3cccc4ccccc34)Oc3cccc4ccccc34)cccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
KMT2A Q03164 1/20 0.52
HTR1B P28222 6/20 0.48
SLC6A4 P31645 8/20 0.47
SLC6A2 P23975 7/20 0.47
SLC6A3 Q01959 2/20 0.46
NR2E1 Q9Y466 1/20 0.46
ALDH1A1 P00352 2/20 0.46
KCNA3 P22001 1/20 0.46
HPGD P15428 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTR1D P28221 2/20 0.44
PGR P06401 1/20 0.44
GAA P10253 1/20 0.44
PTGS1 P23219 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL11578015 0.90 KCNA3 (0.51) KDM4EMEN1CYP1A2CYP2C19KMT2A
SCHEMBL8009191 0.82 CYP1A2 (0.49) KDM4EMEN1CYP1A2CYP2C19KMT2A
SCHEMBL4982131 0.82 CYP1A2 (0.56) KDM4EMEN1CYP1A2CYP2C19KMT2A
SCHEMBL13971022 0.82 KDM4E (0.49) KDM4EMEN1CYP1A2CYP2C19KMT2A
SCHEMBL10344137 0.82 KDM4E (0.49) KDM4EMEN1CYP1A2CYP2C19KMT2A
SCHEMBL6831487 0.82 HTR1B (0.50) KDM4EMEN1CYP1A2CYP2C19KMT2A
SCHEMBL23067897 0.79 HTR1B (0.47) KDM4EMEN1CYP1A2CYP2C19KMT2A
SCHEMBL6301620 0.79 HTR1B (0.47) KDM4EMEN1CYP1A2CYP2C19KMT2A
SCHEMBL8344333 0.79 MCHR1 (0.51) KDM4EMEN1CYP1A2CYP2C19KMT2A
SCHEMBL1356985 0.79 CYP1A2 (0.54) KDM4EMEN1CYP1A2CYP2C19KMT2A

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-4101323-A Radiation-sensitive copying composition HOECHST AKTIENGESELLSCHAFT (DE) 1978-07-18 US disclosed