SCHEMBL3262036

SCHEMBL3262036

CCC(Cc1ccc(O)cc1)Cc1ccc(O)c(F)c1.CCC(Cc1ccc(OC)cc1)Cc1ccc(OC)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 2/20 0.43
▸ ALOX15 P16050 2/20 0.41
▸ ALOX12 P18054 2/20 0.41
▸ FOS P01100 1/20 0.41
▸ TTR P02766 1/20 0.41
▸ JUN P05412 1/20 0.41
▸ NR3C1 P04150 1/20 0.41
▸ HSD17B1 P14061 1/20 0.41
▸ HSD17B2 P37059 1/20 0.41
▸ BCHE P06276 1/20 0.41
▸ TYR P14679 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ CALM1 P0DP23 1/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ CYP19A1 P11511 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ NOS2 P35228 1/20 0.40
▸ LDHA P00338 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
SCHEMBL3235287 0.90 LDHA (0.44) LDHA
SCHEMBL3242309 0.84 ESR1 (0.46) ALOX15ALOX12FOSTTRJUN
SCHEMBL3264693 0.72 PPARD (0.51) —
SCHEMBL1219106 0.71 SLC6A4 (0.59) ALOX15ALOX12LDHA
SCHEMBL27682804 0.71 ESR1 (0.61) ALOX15ESR1ESR2
SCHEMBL11218889 0.70 ALOX15 (0.46) ALOX15ALOX12FOSTTRJUN
SCHEMBL13003651 0.70 ALOX15 (0.46) ALOX15ALOX12FOSTTRJUN
SCHEMBL21402271 0.70 FOS (0.62) ALOX15ALOX12FOSTTRJUN
SCHEMBL8244070 0.68 ALOX15 (0.50) ALOX15ALOX12FOSTTRJUN
SCHEMBL345525 0.68 LDHA (0.53) CALM1LDHA

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-2010030787-A1 ESTROGEN RECEPTOR LIGANDS RADIUS HEALTH, INC. (US) 2010-03-18 — — WO disclosed
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