SCHEMBL30608209

SCHEMBL30608209

COc1cc(O)cc(C(=O)c2cc(O)cc(OC)c2S(=O)(=O)O)c1S(=O)(=O)O.[Na].[Na]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 0.42
POLB P06746 2/20 0.41
RECQL P46063 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 5/20 0.41
CYP3A4 P08684 4/20 0.41
LMNA P02545 4/20 0.40
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 1/20 0.40
APP P05067 1/20 0.40
SYNJ2 O15056 1/20 0.39
SIRT1 Q96EB6 1/20 0.38
HPGD P15428 4/20 0.37
CYP1A2 P05177 1/20 0.37
PGR P06401 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
AR P10275 1/20 0.37
CHRM1 P11229 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL11320168 0.85 MAPT (0.60) NPC1POLBRECQLGAAMAPT
SCHEMBL30014884 0.82 NPC1 (0.41) NPC1RAB9APOLBRECQLGAA
SCHEMBL17172530 0.72 TSHR (0.45) POLBMAPTLMNAALDH1A1CYP1A2
SCHEMBL2927169 0.71 MAPT (0.49) NPC1RAB9ARECQLGAAMAPT
SCHEMBL3226016 0.71 MAPT (0.49) NPC1RAB9ARECQLGAAMAPT
SCHEMBL8427070 0.71 NPC1 (0.63) NPC1RAB9APOLBRECQLMAPT
SCHEMBL7129528 0.70 NPC1 (0.61) NPC1RAB9APOLBRECQLMAPT
SCHEMBL23795756 0.70 MAPT (0.47) NPC1RAB9ARECQLGAAMAPT
SCHEMBL4384097 0.70 MAPT (0.47) NPC1RAB9ARECQLGAAMAPT
SCHEMBL240881 0.70 LMNA (0.74) NPC1RAB9ARECQLGAAMAPT

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
CN-116925526-A Photovoltaic cable insulating material and preparation method thereof 四川仁智新材料科技有限责任公司 2023-10-24 CN claimed
CN-116925526-A Photovoltaic cable insulating material and preparation method thereof 四川仁智新材料科技有限责任公司 2023-10-24 CN disclosed