SCHEMBL13857082

SCHEMBL13857082

NCCCCCCNC(=O)c1ccc(CO)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 2/20 0.61
▸ MAPK1 P28482 1/20 0.54
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ NAMPT P43490 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ MAOB P27338 1/20 0.50
▸ POLB P06746 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ PMP22 Q01453 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ TMEM97 Q5BJF2 1/20 0.48
▸ SMYD3 Q9H7B4 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ EPHX2 P34913 1/20 0.48
▸ NAAA Q02083 1/20 0.47

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
SCHEMBL12960847 0.90 MAPK1 (0.65) HDAC3MAPK1NPC1RAB9ANAMPT
SCHEMBL26709560 0.90 MAPK1 (0.65) HDAC3MAPK1NPC1RAB9ANAMPT
SCHEMBL3523157 0.88 MAPK1 (0.61) HDAC3MAPK1NPC1RAB9ANAMPT
SCHEMBL22488360 0.87 HDAC3 (0.58) HDAC3MAPK1NPC1RAB9ANAMPT
SCHEMBL5251223 0.85 POLB (0.55) HDAC3MAPK1NPC1RAB9ANAMPT
SCHEMBL9314213 0.84 NPC1 (0.50) HDAC3MAPK1NPC1RAB9ANAMPT
SCHEMBL13566561 0.83 MAPK1 (0.62) HDAC3MAPK1NPC1RAB9ANAMPT
SCHEMBL28038483 0.83 MAPK1 (0.57) HDAC3MAPK1NPC1RAB9ANAMPT
SCHEMBL8234410 0.83 HDAC3 (0.61) HDAC3MAPK1NPC1RAB9AL3MBTL1
SCHEMBL13593534 0.83 MAPK1 (0.81) HDAC3MAPK1NPC1RAB9ACYP1A2

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-20090126749-A1 ARTIFICIAL HAIR AND WIG USING THE SAME UNIHAIR CO., LTD. (JP) 2009-05-21 — — US disclosed
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