SCHEMBL8966541

SCHEMBL8966541

CC(C)(C)c1ccc(C(=O)OC(CC(=O)O)(CC(=O)O)C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SLC13A5 Q86YT5 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
SRD5A2 P31213 1/20 0.45
TNF P01375 1/20 0.44
KLF5 Q13887 1/20 0.44
NOD1 Q9Y239 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
NR4A2 P43354 1/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
HDAC1 Q13547 1/20 0.42
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 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
SCHEMBL2852476 0.82 LMNA (0.49) TDP1L3MBTL1SMN1; SMN2CA1CA2
SCHEMBL2071064 0.82 TDP1 (0.47) TDP1MAPTL3MBTL1SMN1; SMN2NR4A2
SCHEMBL28075408 0.80 TDP1 (0.46) TDP1MAPTL3MBTL1SMN1; SMN2NR4A2
SCHEMBL1289443 0.80 TDP1 (0.46) TDP1MAPTL3MBTL1SMN1; SMN2NR4A2
Hydrochloric Acid SCHEMBL18584396 0.79 TDP1 (0.44) TDP1MAPTSMN1; SMN2NR4A2CYP2C19
SCHEMBL11887257 0.76 HDAC1 (0.53) TDP1MAPTL3MBTL1SRD5A2TNF
SCHEMBL8966553 0.74 SLC13A5 (0.55) TDP1MAPTL3MBTL1NPSR1SLC13A5
SCHEMBL11888430 0.73 CA1 (0.48) TDP1MAPTL3MBTL1NPSR1SMN1; SMN2
SCHEMBL28585823 0.73 TRPV1 (0.54) TDP1MAPTL3MBTL1SRD5A2TNF
SCHEMBL17185140 0.72 HDAC1 (0.53) TDP1MAPTL3MBTL1SRD5A2TNF

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
JP-8067655-A None JP disclosed
JP-H0867655-A NEW P-TERT BUTYLBENZOIC ACID ESTER FUSO KAGAKU KOGYO KK 1996-03-12 JP disclosed