SCHEMBL29212909

SCHEMBL29212909

CC(C)(C)c1ccc(C(=O)OC(=O)c2ccccc2)cc1.Cc1ccccc1C(=O)OC(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
TNF P01375 1/20 0.52
KLF5 Q13887 1/20 0.52
NOD1 Q9Y239 1/20 0.52
TP53 P04637 1/20 0.51
THRB P10828 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
PPARG P37231 3/20 0.44
NR1H4 Q96RI1 2/20 0.44
PPARA Q07869 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44
SRD5A2 P31213 1/20 0.42
LMNA P02545 1/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 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
SCHEMBL29212907 0.97 SMN1; SMN2 (0.53) MAPTTDP1L3MBTL1TNFKLF5
Phosphoric Acid SCHEMBL29017998 0.92 SMN1; SMN2 (0.52) MAPTTDP1L3MBTL1TNFKLF5
SCHEMBL27999 0.87 NPC1 (0.58) SMN1; SMN2RAB9ANPC1KCNK9LMNA
SCHEMBL446400 0.87 TDP1 (0.69) MAPTTDP1L3MBTL1TNFKLF5
SCHEMBL30947366 0.87 NPC1 (0.58) SMN1; SMN2RAB9ANPC1KCNK9LMNA
Tert-Butyl Hydroperoxide SCHEMBL27933323 0.86 NPC1 (0.51) MAPTTDP1L3MBTL1SMN1; SMN2RAB9A
Ethylene SCHEMBL28030154 0.84 NPC1 (0.55) SMN1; SMN2RAB9ANPC1KCNK9LMNA
SCHEMBL28398675 0.83 NPC1 (0.50) L3MBTL1SMN1; SMN2RAB9ANPC1SRD5A2
SCHEMBL28881871 0.82 MAPT (0.50) MAPTTDP1L3MBTL1TNFKLF5
SCHEMBL446399 0.80 HDAC1 (0.57) MAPTTDP1L3MBTL1TNFKLF5

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-112119528-B Electrolyte, electrochemical device, lithium ion secondary battery and assembly 大金工业株式会社 2024-04-05 CN disclosed