SCHEMBL20102834

SCHEMBL20102834

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 1/20 0.45
CYP1A2 P05177 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
THRB P10828 1/20 0.42
KMT2A Q03164 1/20 0.42
ACLY P53396 1/20 0.41
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39
TBXAS1 P24557 2/20 0.39
ESR1 P03372 1/20 0.37
CYP3A4 P08684 1/20 0.37
ESR2 Q92731 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
FFAR1 O14842 1/20 0.37
CPT2 P23786 1/20 0.37
TSHR P16473 3/20 0.36
HIF1A Q16665 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36

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 0.85 NAALAD2 (0.52) NAALAD2CYP1A2ALDH1A1MEN1THRB
SCHEMBL11529406 0.85 NAALAD2 (0.50) NAALAD2CYP1A2ALDH1A1MEN1THRB
Hydrochloric Acid SCHEMBL7028451 0.83 NAALAD2 (0.50) NAALAD2CYP1A2ALDH1A1MEN1THRB
SCHEMBL6931571 0.83 NAALAD2 (0.50) NAALAD2CYP1A2ALDH1A1MEN1THRB
SCHEMBL6740712 0.83 NAALAD2 (0.50) NAALAD2CYP1A2ALDH1A1MEN1THRB
Ammonia Solution, Strong SCHEMBL8839919 0.83 NAALAD2 (0.50) NAALAD2CYP1A2ALDH1A1MEN1THRB
SCHEMBL8582765 0.83 NAALAD2 (0.50) NAALAD2CYP1A2ALDH1A1MEN1THRB
Hydrochloric Acid SCHEMBL31279551 0.83 NAALAD2 (0.48) NAALAD2CYP1A2ALDH1A1MEN1THRB
SCHEMBL27534044 0.82 ACLY (0.43) NAALAD2CYP1A2ALDH1A1MEN1THRB
Water SCHEMBL4931332 0.81 NAALAD2 (0.48) NAALAD2CYP1A2ALDH1A1MEN1THRB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11913049-B2 Bioconversion of short-chain hydrocarbons to fuels and chemicals Gonzalez, Ramon (US) 2024-02-27 US disclosed
US-20200347423-A1 Bioconversion of Short-Chain Hydrocarbons to Fuels and Chemicals GONZALEZ, RAMON 2020-11-05 US disclosed
US-10774349-B2 Alpha omega bifunctional fatty acids WILLIAM MARSH RICE UNIVERSITY (US) 2020-09-15 US disclosed
US-10450593-B2 Type II fatty acid synthesis enzymes in reverse β-oxidation WILLIAM MARSH RICE UNIVERSITY (US) 2019-10-22 US disclosed
US-20180119183-A1 ALPHA OMEGA BIFUNCTIONAL FATTY ACIDS WILLIAM MARSH RICE UNIVERISTY 2018-05-03 US disclosed