SCHEMBL25751183

SCHEMBL25751183

C1=CC(c2ccc(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc(-c5ccccc5)c(-c5ccccc5)c4)cc3)cc2)=CCC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.33
ESR2 Q92731 3/20 0.33
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
ACMSD Q8TDX5 1/20 0.31
CYP17A1 P05093 1/20 0.30
CYP19A1 P11511 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
GSTP1 P09211 1/20 0.30

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
SCHEMBL25751392 1.00 ESR1 (0.33) ESR1ESR2HSD17B1HSD17B2ACMSD
SCHEMBL24862217 0.97 ESR1 (0.33) ESR1ESR2HSD17B1HSD17B2CYP17A1
SCHEMBL22809398 0.92
SCHEMBL19797561 0.92
SCHEMBL19597745 0.92
SCHEMBL24283865 0.91
SCHEMBL22809345 0.89 MEN1 (0.32)
SCHEMBL20862344 0.89 PTGES (0.33) ESR1ESR2HSD17B1HSD17B2ACMSD
SCHEMBL24862074 0.89 MEN1 (0.33)
SCHEMBL23890258 0.88 HSD17B1 (0.31) HSD17B1HSD17B2

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
EP-4198104-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Hodogaya Chemical Co., Ltd. (JP) 2023-06-21 EP disclosed