SCHEMBL29059209

SCHEMBL29059209

CCCCCCCCCCCCOc1c(O)c(O)cc(O)c1O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.53
AKR1C4 P17516 1/20 0.53
AKR1C3 P42330 1/20 0.53
AKR1C2 P52895 1/20 0.53
AKR1C1 Q04828 1/20 0.53
NR5A1 Q13285 1/20 0.48
ALOX5 P09917 4/20 0.46
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
FFAR1 O14842 1/20 0.44
PLA2G2A P14555 1/20 0.44
PLA2G5 P39877 1/20 0.44
GPR84 Q9NQS5 1/20 0.44

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
SCHEMBL5589792 0.84 ESR1 (0.46) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL5588750 0.81 ESR1 (0.48) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL5588101 0.80 ALOX5 (0.44) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL5588153 0.80 ALOX5 (0.51) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL5587426 0.80 ALOX5 (0.51) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL5588320 0.80 ALOX5 (0.51) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL5588897 0.80 ALOX5 (0.51) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL5588372 0.80 ALOX5 (0.51) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL5590515 0.80 ALOX5 (0.51) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL5587479 0.80 ALOX5 (0.48) 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
CN-116655698-A Phosphorus flame retardant, and preparation method and application thereof 山东旭锐新材股份有限公司 2023-08-29 CN disclosed