SCHEMBL15975350

SCHEMBL15975350

CCCCCCC1(CCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc(C(F)(F)F)cc3)cc21

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 4/20 0.40
▸ CNR2 P34972 12/20 0.39
▸ CNR1 P21554 11/20 0.37
▸ TDP2 O95551 1/20 0.37
▸ TLR8 Q9NR97 1/20 0.36
▸ P2RY14 Q15391 1/20 0.35
▸ PPARD Q03181 1/20 0.33

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
SCHEMBL15975357 0.92 ICMT (0.37) PDK2CNR2CNR1TLR8
SCHEMBL14125124 0.86 PDK2 (0.38) PDK2CNR2CNR1TDP2TLR8
SCHEMBL25363124 0.86 PDK2 (0.41) PDK2CNR2CNR1TLR8
SCHEMBL4825931 0.85 ICMT (0.40) PDK2CNR2CNR1TDP2TLR8
SCHEMBL14190392 0.85 MMP2 (0.41) PDK2CNR2CNR1
SCHEMBL11917695 0.84 ICMT (0.37) PDK2CNR2CNR1TLR8
SCHEMBL26398743 0.83 PDK2 (0.42) PDK2CNR2CNR1TLR8
SCHEMBL13227994 0.83 CNR2 (0.38) PDK2CNR2CNR1
SCHEMBL19442933 0.83 CNR1 (0.40) PDK2CNR2CNR1TLR8
SCHEMBL26050718 0.83 CNR1 (0.40) PDK2CNR2CNR1TLR8

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-8816334-B2 N-type materials and organic electronic devices AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2014-08-26 — — US disclosed
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