SCHEMBL20025845

SCHEMBL20025845

CN(c1ccc(-c2ccc3ccccc3c2)cc1)c1ccc2c(c1)C(C)(C)C1=C2C=CCC1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 1/20 0.32
▸ LIPG Q9Y5X9 1/20 0.32
▸ PDK2 Q15119 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ ESR1 P03372 1/20 0.30
▸ ESR2 Q92731 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
SCHEMBL13511487 0.88 PDK2 (0.34) PDK2
SCHEMBL26376049 0.86 LPL (0.30) LPLLIPG
SCHEMBL24973657 0.81 — —
SCHEMBL26579939 0.81 — —
SCHEMBL13371962 0.81 RELA (0.32) —
SCHEMBL25725632 0.80 — —
SCHEMBL10118694 0.80 — —
SCHEMBL18517713 0.79 PDK2 (0.31) PDK2
SCHEMBL13760191 0.78 — —
SCHEMBL1755513 0.78 PDK2 (0.30) PDK2

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-2018058496-A1 ORGANIC COMPOUND AND ELECTRONIC DEVICE DOW GLOBAL TECHNOLOGIES LLC (US) 2018-04-05 — — WO disclosed
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