SCHEMBL29212907

SCHEMBL29212907

CC(C)(C)c1ccc(C(=O)OC(=O)c2ccc(C(C)(C)C)cc2)cc1.Cc1ccccc1C(=O)OC(=O)c1ccccc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
TP53 P04637 1/20 0.53
THRB P10828 1/20 0.53
MAPT P10636 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TNF P01375 2/20 0.48
KLF5 Q13887 2/20 0.48
NOD1 Q9Y239 2/20 0.48
NPSR1 Q6W5P4 2/20 0.44
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
PPARG P37231 3/20 0.43
NR1H4 Q96RI1 2/20 0.43
PPARA Q07869 1/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL29212909 0.97 MAPT (0.55) SMN1; SMN2TP53THRBMAPTTDP1
Phosphoric Acid SCHEMBL29017998 0.94 SMN1; SMN2 (0.52) SMN1; SMN2TP53THRBMAPTTDP1
SCHEMBL28881871 0.84 MAPT (0.50) SMN1; SMN2MAPTTDP1L3MBTL1TNF
SCHEMBL30947366 0.83 NPC1 (0.58) SMN1; SMN2ADRB2ADRB1ADRB3NPC1
SCHEMBL446400 0.83 TDP1 (0.69) MAPTTDP1L3MBTL1TNFKLF5
SCHEMBL27999 0.83 NPC1 (0.58) SMN1; SMN2ADRB2ADRB1ADRB3NPC1
SCHEMBL446399 0.83 HDAC1 (0.57) MAPTTDP1L3MBTL1TNFKLF5
Tert-Butyl Hydroperoxide SCHEMBL27933323 0.83 NPC1 (0.51) SMN1; SMN2MAPTTDP1L3MBTL1ADRB2
SCHEMBL28398675 0.82 NPC1 (0.50) SMN1; SMN2L3MBTL1NPC1RAB9AKMT2A
SCHEMBL5687900 0.81 TNF (0.56) 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