SCHEMBL5668366

SCHEMBL5668366

CCCCCOC(=O)CC(O)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.64
RAB9A P51151 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
LMNA P02545 2/20 0.64
TSHR P16473 2/20 0.51
TP53 P04637 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPK1 P28482 1/20 0.51
ALDH1A1 P00352 1/20 0.50
ASAH1 Q13510 1/20 0.49
POLB P06746 1/20 0.48
NAAA Q02083 1/20 0.46

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
SCHEMBL27229985 0.98 NPC1 (0.65) NPC1RAB9ASMN1; SMN2LMNATSHR
SCHEMBL28139414 0.98 NPC1 (0.65) NPC1RAB9ASMN1; SMN2LMNATSHR
SCHEMBL27461469 0.95 SMN1; SMN2 (0.58) NPC1RAB9ASMN1; SMN2LMNATSHR
SCHEMBL27946170 0.85 NR5A1 (0.51) NPC1RAB9ASMN1; SMN2LMNATSHR
SCHEMBL14680082 0.85 NPC1 (0.56) NPC1RAB9ASMN1; SMN2LMNATSHR
SCHEMBL9773153 0.84 NPC1 (0.62) NPC1RAB9ASMN1; SMN2LMNATSHR
SCHEMBL9773152 0.84 NPC1 (0.62) NPC1RAB9ASMN1; SMN2LMNATSHR
SCHEMBL27296401 0.84 NPC1 (0.62) NPC1RAB9ASMN1; SMN2LMNATSHR
SCHEMBL28342871 0.84 LMNA (0.52) NPC1RAB9ASMN1; SMN2LMNATSHR
SCHEMBL14680110 0.82 NPC1 (0.53) NPC1RAB9ASMN1; SMN2LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556733-A4 ELECTROCHROMIC DEVICES HAVING AN ELECTRON SHUTTLE GENTEX CORP (US) 2006-02-08 EP disclosed
EP-1556733-A1 ELECTROCHROMIC DEVICES HAVING AN ELECTRON SHUTTLE Gentex Corporation (US) 2005-07-27 EP disclosed
WO-2004042463-A1 ELECTROCHROMIC DEVICES HAVING AN ELECTRON SHUTTLE GENTEX CORPORATION (US) 2004-05-21 WO disclosed