SCHEMBL30587448

SCHEMBL30587448

C/C=C(/C)C(=O)O.CCOC(=O)C(O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.47
PIN1 Q13526 1/20 0.43
HPGD P15428 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 3/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MDM4 O15151 1/20 0.41
MAPT P10636 1/20 0.41
MDM2 Q00987 1/20 0.41
TSHR P16473 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL279960 0.87 MMP8 (0.57) MMP8PIN1HPGDMEN1KMT2A
SCHEMBL27590464 0.87 MMP8 (0.57) MMP8PIN1HPGDMEN1KMT2A
SCHEMBL3266292 0.87 MMP8 (0.57) MMP8PIN1HPGDMEN1KMT2A
SCHEMBL4297584 0.87 MMP8 (0.57) MMP8PIN1HPGDMEN1KMT2A
SCHEMBL28929530 0.85 MMP8 (0.56) MMP8PIN1HPGDMEN1KMT2A
SCHEMBL28929528 0.85 MMP8 (0.56) MMP8PIN1HPGDMEN1KMT2A
Methane SCHEMBL28033624 0.84 PIN1 (0.54) MMP8PIN1HPGDMEN1KMT2A
SCHEMBL11833508 0.78 PTGS2 (0.49) MMP8PIN1HPGDMEN1KMT2A
SCHEMBL11101200 0.76 MMP8 (0.47) MMP8PIN1MEN1KMT2ANPC1
SCHEMBL3454215 0.74 LMNA (0.55) HPGDALDH1A1NPC1LMNAMAPK1

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
CN-114805064-B Method for synthesizing alpha-hydroxy carboxylic ester 广西壮族自治区林业科学研究院 2023-08-29 CN disclosed