SCHEMBL3688694

SCHEMBL3688694

CCCCCCCCCCCCCCCCCCOC(=O)Cc1cc(C(C)(C)C)c(O)cc1C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.45
AKR1C4 P17516 1/20 0.45
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
AKR1C1 Q04828 1/20 0.45
NAAA Q02083 1/20 0.44
NR4A1 P22736 1/20 0.43
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GAA P10253 1/20 0.40
XBP1 P17861 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL11097851 0.87 ESR1 (0.45) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL11095742 0.87 ESR1 (0.45) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL11086790 0.87 ESR1 (0.45) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL10749478 0.87 GAA (0.46) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL6712918 0.87 GAA (0.46) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL11582449 0.82 ESR1 (0.45) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL11827038 0.82 ESR1 (0.45) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL11581524 0.82 ESR1 (0.45) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL10704454 0.81 GAA (0.50) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL11704516 0.80 DGKA (0.43) ESR1AKR1C4AKR1C3AKR1C2AKR1C1

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-20100164141-A1 Cellulose Ester Film, Its Manufacturing Method, Polarizing Plate, and Liquid Crystal Display KONICA MINOLTA OPTO, INC. (JP) 2010-07-01 US claimed