SCHEMBL2875604

SCHEMBL2875604

CCCCCCC1(C2CCCCC2)CCCCC1C1CCCCC1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.32
BACE1 P56817 1/20 0.30
BACE2 Q9Y5Z0 1/20 0.30
NAAA Q02083 2/20 0.30
HSD17B10 Q99714 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
SCHEMBL2994324 0.80 HSD17B10 (0.35) HSD17B10
SCHEMBL748768 0.76 HSD17B10 (0.32) HSD17B10
SCHEMBL4148069 0.74 CYP1A2 (0.31) CYP1A2
SCHEMBL9227518 0.73 CYP1A2 (0.31) CYP1A2NAAA
SCHEMBL10337151 0.73 CYP1A2 (0.38) CYP1A2BACE1BACE2NAAA
SCHEMBL8861201 0.73 CYP1A2 (0.38) CYP1A2BACE1BACE2NAAA
SCHEMBL10337191 0.73 CYP1A2 (0.38) CYP1A2BACE1BACE2NAAA
SCHEMBL2748993 0.73 CYP1A2 (0.38) CYP1A2BACE1BACE2NAAA
SCHEMBL7738990 0.73 CYP1A2 (0.38) CYP1A2BACE1BACE2NAAA
SCHEMBL27616200 0.73 CYP1A2 (0.38) CYP1A2BACE1BACE2NAAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010079331-A1 INTERLAYER FORMULATION FOR FLAT FILMS CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2010-07-15 WO claimed
WO-2010079331-A1 INTERLAYER FORMULATION FOR FLAT FILMS CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2010-07-15 WO disclosed