SCHEMBL15070068

SCHEMBL15070068

CCc1ccc2c(c1)C(C)(C)c1cc(-c3ccc(-c4ccc(C)cc4)s3)ccc1-2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ ADAMTS5 Q9UNA0 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PRF1 P14222 2/20 0.34
▸ ACHE P22303 1/20 0.34
▸ HSD17B1 P14061 4/20 0.33
▸ HSD17B2 P37059 4/20 0.33
▸ WRN Q14191 1/20 0.33
▸ PGR P06401 2/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ CYP3A4 P08684 1/20 0.31

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
SCHEMBL15070066 0.92 WRN (0.35) PDK2MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL15070053 0.86 PDK2 (0.39) PDK2PRF1HSD17B1HSD17B2PGR
SCHEMBL15070055 0.84 PDK2 (0.38) PDK2PRF1HSD17B1HSD17B2PGR
SCHEMBL16168656 0.83 PDK2 (0.40) PDK2MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL12744012 0.82 PDK2 (0.38) PDK2MAPTPRF1HSD17B1HSD17B2
SCHEMBL12744418 0.81 PDK2 (0.37) PDK2MAPTPRF1HSD17B1HSD17B2
SCHEMBL12744014 0.81 PDK2 (0.37) PDK2MAPTPRF1HSD17B1HSD17B2
SCHEMBL13382653 0.80 HSD17B1 (0.37) PDK2PRF1HSD17B1HSD17B2PGR
SCHEMBL18559923 0.79 PDK2 (0.44) PDK2MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL19742352 0.77 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1LMNATP53HSD17B1

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
US-8716703-B2 Organic semiconductor transistor FUJI XEROX CO., LTD. (JP) 2014-05-06 — — US disclosed
US-20130161589-A1 ORGANIC SEMICONDUCTOR TRANSISTOR FUJI XEROX CO., LTD. (JP) 2013-06-27 — — US disclosed
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