SCHEMBL17023973

SCHEMBL17023973

CCCC[C@@](C)(OC(=O)CCC)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
PAM P19021 2/20 0.38
AKR1B1 P15121 1/20 0.34
GPR84 Q9NQS5 7/20 0.33
PPARG P37231 7/20 0.33
PPARD Q03181 7/20 0.33
PPARA Q07869 7/20 0.33
HDAC11 Q96DB2 5/20 0.33
TSHR P16473 4/20 0.33
PTPN1 P18031 3/20 0.33
TLR2 O60603 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
FABP4 P15090 2/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
SLC22A8 Q8TCC7 1/20 0.33
FFAR3 O14843 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33

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
SCHEMBL15618808 1.00 ALDH1A1 (0.40) ALDH1A1PAMAKR1B1GPR84PPARG
SCHEMBL17023958 1.00 ALDH1A1 (0.40) ALDH1A1PAMAKR1B1GPR84PPARG
SCHEMBL8997387 0.89 PAM (0.51) ALDH1A1PAMGPR84PPARGPPARD
SCHEMBL17023972 0.87 NAAA (0.38) ALDH1A1PAMTSHRFDPS
SCHEMBL17023971 0.87 NAAA (0.38) ALDH1A1PAMTSHRFDPS
SCHEMBL17023960 0.87 NAAA (0.38) ALDH1A1PAMTSHRFDPS
SCHEMBL28022715 0.86 PAM (0.47) ALDH1A1PAMGPR84PPARGPPARD
SCHEMBL28246112 0.86 PAM (0.47) ALDH1A1PAMGPR84PPARGPPARD
SCHEMBL28022796 0.86 PAM (0.47) ALDH1A1PAMGPR84PPARGPPARD
SCHEMBL17023981 0.85 KMT2A (0.34) ALDH1A1TDP1KMT2A

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
US-20150240272-A1 LACTATE PRODUCTION PROCESS PLAXICA LIMITED (GB) 2015-08-27 US disclosed