SCHEMBL13201757

SCHEMBL13201757

C/C=C/c1cc(OC)c(/C=C/c2ccc(C)cc2-c2ccc(OCCC(C)CCCC(C)C)cc2)cc1OCCC(C)CCCC(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.38
▸ MGAM O43451 2/20 0.38
▸ SI P14410 2/20 0.38
▸ MGAM2 Q2M2H8 2/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ TP53 P04637 1/20 0.34
▸ HMGCR P04035 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ FDPS P14324 1/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ CYP1A1 P04798 3/20 0.33
▸ CYP1A2 P05177 3/20 0.33
▸ CYP1B1 Q16678 3/20 0.33
▸ SYK P43405 1/20 0.32
▸ HDAC8 Q9BY41 3/20 0.32

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
SCHEMBL13377577 0.91 TP53 (0.39) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL13805742 0.79 HMGCR (0.33) ALDH1A1MAPTHPGDLMNAHTT
SCHEMBL18804474 0.79 HMGCR (0.44) ALDH1A1MAPTHPGDLMNAHTT
SCHEMBL12884188 0.78 HMGCR (0.42) ALDH1A1MAPTHPGDLMNAHTT
SCHEMBL13040866 0.77 HMGCR (0.35) ALDH1A1MAPTHPGDLMNAHTT
SCHEMBL13805733 0.77 HMGCR (0.31) HMGCRCYP3A4
SCHEMBL13805740 0.76 TUBB1 (0.35) ALDH1A1MAPTHPGDLMNAHTT
SCHEMBL4546501 0.75 HMGCR (0.34) LMNAHMGCRCYP3A4FDPSALOX5
SCHEMBL14515446 0.75 — —
SCHEMBL13805737 0.75 NFE2L2 (0.34) ALDH1A1MAPTHPGDLMNAHTT

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-7767776-B2 Copolymer for charge transport layer in opto-electronic device KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2010-08-03 — — US disclosed
US-20090128007-A1 COPOLYMER FOR CHARGE TRANSPORT LAYER IN OPTO-ELECTRONIC DEVICE KONINKLIJKE PHILIPS ELECTRONICS, N.V. (NL) 2009-05-21 — — US disclosed
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