SCHEMBL29007337

SCHEMBL29007337

CC(C)(CC(=O)O)CC(=O)O.CC(C)(CCC(=O)O)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.50
CPT2 P23786 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KDM4E B2RXH2 1/20 0.45
TSHR P16473 2/20 0.44
HIF1A Q16665 2/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
NAALAD2 Q9Y3Q0 1/20 0.44
HMGCR P04035 1/20 0.41
CHRM1 P11229 1/20 0.41
TBXA2R P21731 1/20 0.41
ADRA1A P35348 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 1/20 0.41
ACLY P53396 1/20 0.39
ACACB O00763 1/20 0.38

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
SCHEMBL68460 0.89 NAALAD2 (0.52) FFAR1CPT2TDP1TSHRHIF1A
Hydrochloric Acid SCHEMBL7028451 0.86 NAALAD2 (0.50) FFAR1CPT2TDP1KDM4ETSHR
SCHEMBL8582765 0.86 NAALAD2 (0.50) FFAR1CPT2TDP1TSHRHIF1A
SCHEMBL6740712 0.86 NAALAD2 (0.50) FFAR1CPT2TDP1TSHRHIF1A
Ammonia Solution, Strong SCHEMBL8839919 0.86 NAALAD2 (0.50) FFAR1CPT2TDP1TSHRHIF1A
SCHEMBL6931571 0.86 NAALAD2 (0.50) FFAR1CPT2TDP1TSHRHIF1A
Water SCHEMBL4931332 0.84 NAALAD2 (0.48) FFAR1CPT2TDP1TSHRHIF1A
SCHEMBL28484576 0.83 NAALAD2 (0.44) FFAR1CPT2TDP1TSHRHIF1A
SCHEMBL2203104 0.81 FFAR1 (0.65) FFAR1CPT2TDP1KDM4ETSHR
SCHEMBL11475196 0.80 ACLY (0.50) FFAR1TDP1TSHRNAALAD2CHRM1

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-115989457-A Method for producing cured product, method for producing laminate, and method for producing semiconductor device 富士胶片株式会社 2023-04-18 CN disclosed