SCHEMBL17632510

SCHEMBL17632510

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACLY P53396 3/20 0.50
CPT2 P23786 1/20 0.50
HSPD1 P10809 1/20 0.40
BLM P54132 1/20 0.40
HSPE1 P61604 1/20 0.40
TSHR P16473 2/20 0.32
CYP2C9 P11712 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31

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
Cadaverine Tartrate SCHEMBL9398238 0.88 ACLY (0.59) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL1409965 0.82 ACLY (0.58) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL1462468 0.82 ACLY (0.58) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL59972 0.82 ACLY (0.58) ACLYCPT2HSPD1BLMHSPE1
Malic Acid SCHEMBL29107079 0.76 SMN1; SMN2 (0.54) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL14748299 0.75 TSHR (0.50) TSHRCYP2C9CYP2C19HIF1A
SCHEMBL19585105 0.75 TSHR (0.50) TSHRCYP2C9CYP2C19HIF1A
SCHEMBL3760910 0.75 TSHR (0.50) TSHRCYP2C9CYP2C19HIF1A
SCHEMBL3137028 0.75 TSHR (0.50) TSHRCYP2C9CYP2C19HIF1A
SCHEMBL259033 0.75 TSHR (0.50) TSHRCYP2C9CYP2C19HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240182932-A1 SYNTHESIS OF ISOPRENOIDS AND DERIVATIVES WILLIAM MARSH RICE UNIVERSITY (US) 2024-06-06 US disclosed
US-11046978-B2 Synthesis of isoprenoids and derivatives WILLIAM MARSH RICE UNIVERSITY (US) 2021-06-29 US disclosed
US-20190352679-A1 MICROBIAL SYNTHESIS OF ISOPRENOID PRECURSORS, ISOPRENOIDS AND DERIVATIVES INCLUDING PRENYLATED AROMATIC COMPOUNDS WILLIAM MARSH RICE UNIVERSITY 2019-11-21 US disclosed
WO-2016048828-A1 GENETICALLY MODIFIED MICROBES FOR THE BIOLOGICAL CONVERSION OF CARBONACEOUS MATERIALS TO ISOBUTANOL AND ISOAMYL ALCOHOL CIRIS ENERGY, INC. (US) 2016-03-31 WO disclosed