SCHEMBL23880754

SCHEMBL23880754

CC(O)C(C)O.C[C@H](N)C(=O)NCC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55
PTGS2 P35354 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
ECE1 P42892 1/20 0.48
MME P08473 2/20 0.47
ACE P12821 2/20 0.47
CPA1 P15085 1/20 0.47
ACE2 Q9BYF1 1/20 0.47
TERT O14746 1/20 0.40
EGLN1 Q9GZT9 1/20 0.38
PTGS1 P23219 1/20 0.37
GSTK1 Q9Y2Q3 1/20 0.37
DPP4 P27487 1/20 0.36
GABRP O00591 2/20 0.35
GABRD O14764 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRB1 P18505 2/20 0.35
GABRG2 P18507 2/20 0.35

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
SCHEMBL851239 0.94 ALDH1A1 (0.61) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL1329382 0.94 ALDH1A1 (0.61) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL483863 0.94 ALDH1A1 (0.61) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL26160440 0.94 ALDH1A1 (0.61) ALDH1A1LMNAMAPTPTGS2TDP1
Benzene SCHEMBL28127008 0.89 ALDH1A1 (0.57) ALDH1A1LMNAMAPTPTGS2TDP1
Oxalic Acid SCHEMBL23880753 0.89 ALDH1A1 (0.57) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL23880757 0.88 ALDH1A1 (0.52) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL2476602 0.86 ALDH1A1 (0.53) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL9067705 0.86 ALDH1A1 (0.53) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL30415495 0.86 ALDH1A1 (0.53) ALDH1A1LMNAMAPTPTGS2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210308034-A1 PREBIOTIC COMPOSITIONS AND METHODS FOR MAINTAINING A HEALTHY SKIN MICROBIOTA KIMBERLY-CLARK WORLDWIDE, INC. (US) 2021-10-07 US claimed
US-20210308034-A1 PREBIOTIC COMPOSITIONS AND METHODS FOR MAINTAINING A HEALTHY SKIN MICROBIOTA KIMBERLY-CLARK WORLDWIDE, INC. (US) 2021-10-07 US disclosed