SCHEMBL29033399

SCHEMBL29033399

CCCCCCCCCCCCCCCCCCOC(CO)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 2/20 0.43
GPR88 Q9GZN0 1/20 0.43
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GSR P00390 1/20 0.42
TP53 P04637 1/20 0.41
LTA4H P09960 1/20 0.41
NAAA Q02083 2/20 0.41

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
SCHEMBL7759602 0.93 GSR (0.45) NPC1RAB9ASMN1; SMN2LMNAGPR88
SCHEMBL27396397 0.86 NPC1 (0.44) NPC1RAB9ASMN1; SMN2LMNATSHR
SCHEMBL24925628 0.86 GSR (0.47) SMN1; SMN2LMNAGPR88TSHRALDH1A1
SCHEMBL8990271 0.86 GSR (0.47) SMN1; SMN2LMNAGPR88TSHRALDH1A1
SCHEMBL28042226 0.85 NPC1 (0.43) NPC1RAB9ASMN1; SMN2LMNATSHR
SCHEMBL28042424 0.85 NPC1 (0.43) NPC1RAB9ASMN1; SMN2LMNATSHR
SCHEMBL28042426 0.85 NPC1 (0.43) NPC1RAB9ASMN1; SMN2LMNATSHR
SCHEMBL28042429 0.85 NPC1 (0.43) NPC1RAB9ASMN1; SMN2LMNATSHR
SCHEMBL28042227 0.85 NPC1 (0.43) NPC1RAB9ASMN1; SMN2LMNATSHR
SCHEMBL28042428 0.85 NPC1 (0.43) 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-116026939-A Octadecyloxy ethanol process control detection method 欣凯医药化工中间体(上海)有限公司 2023-04-28 CN disclosed