SCHEMBL11244809

SCHEMBL11244809

COc1ccccc1-c1c(OC)oc2cc(O)ccc2c1=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.65
TSHR P16473 2/20 0.65
KDM4E B2RXH2 10/20 0.65
HPGD P15428 9/20 0.65
HSD17B10 Q99714 7/20 0.65
CYP3A4 P08684 5/20 0.65
GLA P06280 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
USP2 O75604 1/20 0.65
ESR1 P03372 3/20 0.61
ESR2 Q92731 2/20 0.61
KDM5A P29375 1/20 0.61
MAOA P21397 2/20 0.60
GAA P10253 2/20 0.56
TP53 P04637 2/20 0.56
MIF P14174 1/20 0.55
CYP2C19 P33261 1/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MAPT P10636 3/20 0.50

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
SCHEMBL13169533 0.87 ALDH1A1 (0.74) ALDH1A1TSHRKDM4EHPGDHSD17B10
SCHEMBL5803557 0.84 ALDH1A1 (0.69) ALDH1A1TSHRKDM4EHPGDHSD17B10
SCHEMBL30527960 0.84 ALDH1A1 (0.69) ALDH1A1TSHRKDM4EHPGDHSD17B10
SCHEMBL896578 0.84 KDM4E (0.63) ALDH1A1TSHRKDM4EHPGDHSD17B10
SCHEMBL11097926 0.81 ESR1 (0.73) ALDH1A1KDM4EHPGDHSD17B10CYP3A4
SCHEMBL8829384 0.80 ALDH1A1 (0.57) ALDH1A1TSHRKDM4EHPGDHSD17B10
SCHEMBL30228520 0.79 CA12 (0.65) ALDH1A1TSHRKDM4EHPGDHSD17B10
SCHEMBL234467 0.79 KDM4E (1.00) ALDH1A1KDM4EHPGDHSD17B10CYP3A4
SCHEMBL30991585 0.79 KDM4E (1.00) ALDH1A1KDM4EHPGDHSD17B10CYP3A4
SCHEMBL12909284 0.78 USP2 (0.67) ALDH1A1TSHRKDM4EHPGDHSD17B10

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-4366248-A USING SOYBEANS WITH THE FUNGUS RHIZOPUS Z-L LIMITED PARTNERSHIP (US) 1982-12-28 US disclosed