SCHEMBL28732004

SCHEMBL28732004

CC1(C)CCCCC1c1ccc(O)cc1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 16/20 0.49
HSD17B10 Q99714 1/20 0.40
ESR1 P03372 6/20 0.40
ENTPD5 O75356 1/20 0.39
OPRM1 P35372 2/20 0.36

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
SCHEMBL754688 0.90 KDM1A (0.34) ESR2ENTPD5
SCHEMBL36554 0.81 ESR2 (0.45) ESR2HSD17B10ESR1OPRM1
SCHEMBL23198894 0.76 LIG1 (0.46) HSD17B10
SCHEMBL27545786 0.75 KDM1A (0.50)
SCHEMBL13983003 0.74 SLC6A4 (0.44) ESR1OPRM1
SCHEMBL9758363 0.74 ESR2 (0.39) ESR2HSD17B10ESR1
SCHEMBL10670175 0.74 ESR2 (0.41) ESR2ESR1
SCHEMBL6378872 0.73 ENTPD5 (0.41) ESR2ESR1ENTPD5OPRM1
SCHEMBL25329786 0.73 ESR2 (0.43) ESR2ESR1
SCHEMBL28084922 0.73 ESR2 (0.52) ESR2ESR1ENTPD5

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-114302905-A Thermoplastic resin composition and molded article 三菱化学株式会社 2022-04-08 CN disclosed