SCHEMBL11511366

SCHEMBL11511366

C=CC(=O)OCC(=O)OCCOC(=O)Nc1ccc(NC(=O)OCCOC(=O)COC(=O)C=C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.49
RAB9A P51151 7/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
TSHR P16473 3/20 0.49
THRB P10828 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
RECQL P46063 1/20 0.44
TP53 P04637 3/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPK1 P28482 2/20 0.43
HIF1A Q16665 2/20 0.42
HSD17B10 Q99714 1/20 0.42
HPGD P15428 2/20 0.41
MAPT P10636 2/20 0.41
CASP1 P29466 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MCL1 Q07820 1/20 0.41
L3MBTL1 Q9Y468 1/20 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
SCHEMBL11511733 0.89 NPC1 (0.41) NPC1RAB9ASMN1; SMN2TSHRTHRB
SCHEMBL11509020 0.88 RAB9A (0.49) NPC1RAB9ASMN1; SMN2TSHRTHRB
SCHEMBL11512015 0.88 NPC1 (0.44) NPC1RAB9ASMN1; SMN2TSHRTHRB
SCHEMBL11509308 0.85 NLRP3 (0.53) NPC1RAB9ASMN1; SMN2THRBLMNA
SCHEMBL11510166 0.83 SMN1; SMN2 (0.47) NPC1RAB9ASMN1; SMN2TSHRTHRB
SCHEMBL7056940 0.83 TGM2 (0.54) NPC1RAB9ASMN1; SMN2TSHRTHRB
SCHEMBL3203115 0.83 NPC1 (0.62) NPC1RAB9ASMN1; SMN2TSHRTHRB
SCHEMBL14085640 0.82 BCHE (0.47) NPC1RAB9ASMN1; SMN2TSHRTHRB
SCHEMBL17107937 0.82 NPC1 (0.49) NPC1RAB9ASMN1; SMN2TSHRTHRB
SCHEMBL23463468 0.81 RAB9A (0.48) NPC1RAB9ASMN1; SMN2TSHRTHRB

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
US-4180673-A USED FOR TRANSFER TAPES IN PRODUCTION OF PRINTED CIRCUITS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1979-12-25 US disclosed