SCHEMBL28280509

SCHEMBL28280509

CCCCCCCCCCOC(=O)CC(NC=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 2/20 0.49
TSHR P16473 2/20 0.46
ALDH1A1 P00352 1/20 0.46
GPR88 Q9GZN0 2/20 0.46
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
NAAA Q02083 1/20 0.42

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
SCHEMBL6270165 0.84 LMNA (0.46) NPC1SMN1; SMN2LMNATSHRALDH1A1
SCHEMBL4857928 0.81 NPC1 (0.50) NPC1RAB9ASMN1; SMN2LMNATSHR
SCHEMBL14680082 0.80 NPC1 (0.56) NPC1RAB9ASMN1; SMN2LMNATSHR
SCHEMBL27229985 0.79 NPC1 (0.65) NPC1RAB9ASMN1; SMN2LMNATSHR
SCHEMBL28139414 0.79 NPC1 (0.65) NPC1RAB9ASMN1; SMN2LMNATSHR
SCHEMBL14680110 0.78 NPC1 (0.53) NPC1RAB9ASMN1; SMN2LMNATSHR
SCHEMBL29220001 0.78 NPC1 (0.53) NPC1RAB9ASMN1; SMN2LMNATSHR
SCHEMBL5668366 0.77 NPC1 (0.64) NPC1RAB9ASMN1; SMN2LMNATSHR
SCHEMBL29012579 0.76 NPC1 (0.52) NPC1RAB9ASMN1; SMN2LMNATSHR
SCHEMBL4856108 0.76 ALDH1A1 (0.46) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109476946-A Optics fadout color-changing composition and its method made and used 西甘产业股份有限公司 2019-03-15 CN disclosed