SCHEMBL5168465

SCHEMBL5168465

CC(C)(C)c1ccc(SCCCCSc2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
HRH4 Q9H3N8 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
TSHR P16473 1/20 0.42
SLC2A1 P11166 1/20 0.41
LMNA P02545 2/20 0.41
TYR P14679 1/20 0.41
MCL1 Q07820 1/20 0.40
BCHE P06276 3/20 0.40
ACHE P22303 3/20 0.40
KDM4E B2RXH2 2/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL16301153 0.92 NPC1 (0.47) ALDH1A1NPC1RAB9AL3MBTL1CYP1A2
SCHEMBL10599472 0.91 ALDH1A1 (0.57) ALDH1A1NPC1RAB9AL3MBTL1CYP1A2
SCHEMBL15086078 0.90 THRA (0.47) ALDH1A1NPC1RAB9AL3MBTL1CYP1A2
SCHEMBL2329783 0.90 ALDH1A1 (0.46) ALDH1A1NPC1RAB9AL3MBTL1CYP1A2
SCHEMBL7058481 0.90 MAOA (0.50) ALDH1A1NPC1RAB9AL3MBTL1CYP1A2
SCHEMBL10471246 0.88 ALDH1A1 (0.51) ALDH1A1NPC1RAB9AL3MBTL1CYP1A2
SCHEMBL5825886 0.88 ALDH1A1 (0.51) ALDH1A1NPC1RAB9AL3MBTL1CYP1A2
SCHEMBL25557817 0.87 SLC2A1 (0.49) ALDH1A1NPC1RAB9AL3MBTL1CYP1A2
SCHEMBL11323287 0.87 ALDH1A1 (0.44) ALDH1A1NPC1RAB9AL3MBTL1CYP1A2
Cyanide SCHEMBL28096799 0.85 MAOA (0.46) ALDH1A1NPC1RAB9AL3MBTL1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1195259-B1 Sheet for ink jet-recording OJI PAPER CO (JP) 2007-04-25 EP disclosed
US-6852378-B2 Sheet for ink jet-recording OJI PAPER CO., LTD. (JP) 2005-02-08 US disclosed
US-20040058099-A1 Sheet for ink jet-recording OJI PAPER CO., LTD. 2004-03-25 US disclosed
EP-1195259-A2 Sheet for ink jet-recording OJI PAPER CO., LTD. (JP) 2002-04-10 EP disclosed