SCHEMBL12346022

SCHEMBL12346022

COc1c(C)cc(C(C)(C)c2cc(C)c(OC(=O)CCCCCCC(C)=O)c(C)c2)cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 6/20 0.39
▸ ALDH1A1 P00352 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TUBB4A P04350 1/20 0.33
▸ TUBB P07437 1/20 0.33
▸ TUBA3C P0DPH7 1/20 0.33
▸ TUBA1B P68363 1/20 0.33
▸ TUBA4A P68366 1/20 0.33
▸ TUBB4B P68371 1/20 0.33
▸ TUBB3 Q13509 1/20 0.33
▸ TUBB2A Q13885 1/20 0.33
▸ TUBB8 Q3ZCM7 1/20 0.33
▸ TUBA3E Q6PEY2 1/20 0.33
▸ TUBA1A Q71U36 1/20 0.33
▸ TUBA1C Q9BQE3 1/20 0.33
▸ TUBB6 Q9BUF5 1/20 0.33
▸ TUBB2B Q9BVA1 1/20 0.33
▸ TUBB1 Q9H4B7 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
SCHEMBL12931532 0.83 ALDH1A1 (0.42) VCAM1ALDH1A1POLBSMN1; SMN2TUBB4A
SCHEMBL15001286 0.78 TOP2A (0.41) POLBTOP2AHDAC6
SCHEMBL14802308 0.78 TOP2A (0.41) POLBTOP2AHDAC6
SCHEMBL12345944 0.78 TOP2A (0.41) POLBTOP2AHDAC6
SCHEMBL15001297 0.78 TOP2A (0.41) POLBTOP2AHDAC6
SCHEMBL15001293 0.78 TOP2A (0.41) POLBTOP2AHDAC6
SCHEMBL12345948 0.78 BRD4 (0.38) VCAM1ALDH1A1SMN1; SMN2TUBB4ATUBB
SCHEMBL13144070 0.78 HTT (0.42) ALDH1A1POLBTUBB4ATUBBTUBA3C
SCHEMBL15001287 0.76 TOP2A (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL12345973 0.75 KMT2A (0.40) ALDH1A1SMN1; SMN2TOP2AKMT2AMEN1

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-8404414-B2 Electrophotographic photoconductor and manufacturing method thereof FUJI ELECTRIC CO., LTD. (JP) 2013-03-26 — — US disclosed
US-20110189603-A1 ELECTROPHOTOGRAPHIC PHOTOCONDUCTOR AND MANUFACTURING METHOD THEREOF FUJI ELECTRIC SYSTEMS CO., LTD. (JP) 2011-08-04 — — US disclosed
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