SCHEMBL8906200

SCHEMBL8906200

CCCCCCCCCCCCCCCCCCOC(=O)C[CH]c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.44
AKR1C4 P17516 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
NAAA Q02083 1/20 0.43
APP P05067 3/20 0.41
GPR55 Q9Y2T6 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
SCHEMBL283373 0.80 ESR1 (0.47) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL283820 0.80 ESR1 (0.47) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL2947334 0.80 ESR1 (0.47) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL284665 0.80 ESR1 (0.47) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL283748 0.80 ESR1 (0.47) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL284260 0.80 ESR1 (0.47) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL283999 0.80 ESR1 (0.47) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL668699 0.80 ESR1 (0.47) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL180576 0.80 APP (0.62) APP
SCHEMBL2043021 0.80 APP (0.62) APP

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-5702815-A Thermal bondable fiber MONTELL NORTH AMERICA INC. (US) 1997-12-30 US claimed