SCHEMBL8768172

SCHEMBL8768172

CCC(C)C(=O)C(=O)O.CC[C@H](C)C(=O)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.35
TSHR P16473 1/20 0.35
GABRR1 P24046 2/20 0.35
CYP1A2 P05177 1/20 0.35
FOLH1 Q04609 2/20 0.34
NAALAD2 Q9Y3Q0 2/20 0.34
TP53 P04637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
ACE2 Q9BYF1 1/20 0.32

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
SCHEMBL188105 1.00
SCHEMBL3860250 1.00
SCHEMBL43232 1.00
SCHEMBL29396747 1.00 FFAR3 (0.35) FFAR3TSHRGABRR1CYP1A2FOLH1
SCHEMBL11607991 0.97 FOLH1 (0.33) FFAR3TSHRGABRR1CYP1A2FOLH1
SCHEMBL28015494 0.97 FOLH1 (0.33) FFAR3TSHRGABRR1CYP1A2FOLH1
L-Lactic Acid SCHEMBL31285806 0.90 TP53 (0.52) TSHRGABRR1CYP1A2FOLH1NAALAD2
SCHEMBL108300 0.84 TSHR (0.41) FFAR3TSHRGABRR1CYP1A2FOLH1
2-Oxoisohexanoate SCHEMBL25436317 0.84 CA2 (0.38) ALDH1A1
SCHEMBL3755021 0.84

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
EP-0792933-A2 Enzyme having LeuDH activity, nucleotide sequence coding therefor and process for the preparation of this enzyme Degussa Aktiengesellschaft (DE) 1997-09-03 EP disclosed