SCHEMBL4748758

SCHEMBL4748758

CC1(C)C=CC(C(=O)c2ccccc2)C(O)(O)C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX15 P16050 1/20 0.34
HBB P68871 1/20 0.34
ACHE P22303 1/20 0.34
LMNA P02545 1/20 0.34
MCL1 Q07820 1/20 0.34
MAPK1 P28482 1/20 0.34
CCR2 P41597 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL23420888 0.86 NPC1 (0.38) NPC1L3MBTL1HTTSMN1; SMN2MAPT
SCHEMBL4654420 0.81 NPC1 (0.35) NPC1L3MBTL1HTTMAPTALDH1A1
SCHEMBL741921 0.81 NPC1 (0.38) NPC1L3MBTL1SMN1; SMN2MAPTALDH1A1
SCHEMBL30622138 0.80 NPC1 (0.37) NPC1L3MBTL1SMN1; SMN2MAPTALDH1A1
SCHEMBL28841075 0.74 KCNH2 (0.43) HTTSMN1; SMN2ALDH1A1KMT2ALMNA
SCHEMBL28014454 0.74 NPC1 (0.42) NPC1L3MBTL1HTTSMN1; SMN2MAPT
SCHEMBL4653151 0.72 KCNH2 (0.40) HTTALDH1A1KMT2ALMNA
SCHEMBL28126774 0.72 NPC1 (0.35) NPC1L3MBTL1SMN1; SMN2MAPTALDH1A1
SCHEMBL8211939 0.70 NPC1 (0.35) NPC1L3MBTL1HTTMAPTALDH1A1
SCHEMBL27582094 0.69 HTT (0.36) NPC1L3MBTL1HTTSMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008136879-A1 SOLID CLEANING COMPOSITION FOR IMPARTING BLEACH RESISTANCE TO TEXTILES CLEANED THEREWITH MILLIKEN & COMPANY (US) 2008-11-13 WO claimed
US-20080271259-A1 Solid cleaning composition for imparting bleach resistance to textiles cleaned therewith WANG DAIKE 2008-11-06 US claimed