SCHEMBL27280684

SCHEMBL27280684

Oc1ccc2c(c1)Cc1cc(-c3ccc(C(c4ccc(-c5ccc6c(c5)Cc5cc(O)ccc5-6)cc4)(c4ccc(-c5ccc6c(c5)Cc5cc(O)ccc5-6)cc4)c4ccc(-c5ccc6c(c5)Cc5cc(O)ccc5-6)cc4)cc3)ccc1-2

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 11/20 0.52
ESR1 P03372 10/20 0.52
HSD17B1 P14061 3/20 0.47
TDP2 O95551 3/20 0.44
CHEK1 O14757 1/20 0.42
KIF11 P52732 1/20 0.41
ADORA1 P30542 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
SCHEMBL16020439 0.83 HSD17B1 (0.58) ESR2ESR1HSD17B1TDP2CHEK1
SCHEMBL28091062 0.83 HSD17B1 (0.58) ESR2ESR1HSD17B1TDP2CHEK1
SCHEMBL788852 0.79 HSD17B1 (0.64) ESR2ESR1HSD17B1
SCHEMBL29439100 0.79 HSD17B1 (0.64) ESR2ESR1HSD17B1
SCHEMBL27281239 0.79 HSD17B1 (0.43) ESR2ESR1HSD17B1CHEK1
SCHEMBL1904799 0.78 KIF11 (0.50) ESR2ESR1HSD17B1TDP2KIF11
SCHEMBL1479810 0.76 TDP2 (0.68) ESR2ESR1TDP2KIF11
SCHEMBL28023619 0.75 KDM4E (0.52) ESR2ESR1HSD17B1TDP2CHEK1
SCHEMBL27282233 0.71 PDK2 (0.41) ESR2ESR1HSD17B1TDP2KIF11
SCHEMBL784291 0.70 MAOB (0.59) ESR2ESR1HSD17B1

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
WO-2023199851-A1 SEMICONDUCTOR SUBSTRATE MANUFACTURING METHOD, COMPOSITION, AND COMPOUND JSR株式会社 2023-10-19 WO disclosed