SCHEMBL29868055

SCHEMBL29868055

CCCCOC(=O)[C@@](C)(O)C(=O)[C@H](C)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
ATM Q13315 1/20 0.40
TSHR P16473 3/20 0.38
HPGD P15428 2/20 0.38
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HCAR2 Q8TDS4 1/20 0.36
ALPG P10696 1/20 0.35
PPARG P37231 1/20 0.35
HTT P42858 1/20 0.35
NCOA2 Q15596 1/20 0.35
NCOA1 Q15788 1/20 0.35
NAAA Q02083 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ESR1 P03372 2/20 0.34
CA1 P00915 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
SCHEMBL29867924 1.00 ALDH1A1 (0.42) ALDH1A1ATMTSHRHPGDMAPT
SCHEMBL14637308 1.00 ALDH1A1 (0.42) ALDH1A1ATMTSHRHPGDMAPT
SCHEMBL26111766 0.95 NAAA (0.42) ALDH1A1TSHRMAPTNPSR1HCAR2
SCHEMBL30924926 0.93 NAAA (0.44) ALDH1A1TSHRMAPTNPSR1HCAR2
SCHEMBL17338127 0.93 NAAA (0.44) ALDH1A1TSHRMAPTNPSR1HCAR2
SCHEMBL15261468 0.93 NAAA (0.44) ALDH1A1TSHRMAPTNPSR1HCAR2
SCHEMBL26108042 0.93 NAAA (0.44) ALDH1A1TSHRMAPTNPSR1HCAR2
SCHEMBL68743 0.93 NAAA (0.44) ALDH1A1TSHRMAPTNPSR1HCAR2
SCHEMBL26112483 0.93 NAAA (0.44) ALDH1A1TSHRMAPTNPSR1HCAR2
SCHEMBL26110025 0.93 NAAA (0.44) ALDH1A1TSHRMAPTNPSR1HCAR2

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-11447802-B2 Microorganisms and processes for lactic acid production PTT GLOBAL CHEMICAL PUBLIC COMPANY LIMITED (TH) 2022-09-20 US disclosed