SCHEMBL30992188

SCHEMBL30992188

CCOC(CC(C(=O)OC)c1ccc(C(=O)OCc2ccccc2)cc1)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.50
KMT2A Q03164 3/20 0.50
LMNA P02545 2/20 0.50
GAA P10253 2/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPT P10636 5/20 0.48
ALDH1A1 P00352 5/20 0.48
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 3/20 0.45
CYP3A4 P08684 3/20 0.43
TSHR P16473 2/20 0.43
PPARG P37231 1/20 0.42
PKM P14618 2/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ESR1 P03372 1/20 0.41

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
SCHEMBL30992197 0.85 L3MBTL1 (0.43) RAB9AKMT2ATDP1MAPTHPGD
SCHEMBL20818838 0.84 KMT2A (0.50) KMT2AGAATDP1SMN1; SMN2TSHR
SCHEMBL30992199 0.81 CTSS (0.44) KMT2AALDH1A1CYP3A4ESR1ESR2
SCHEMBL31455652 0.77 KMT2A (0.61) RAB9AKMT2ALMNAGAASLC6A2
SCHEMBL11408485 0.75 KMT2A (0.76) RAB9AKMT2ALMNAGAASLC6A2
SCHEMBL22388846 0.75 KMT2A (0.76) RAB9AKMT2ALMNAGAASLC6A2
SCHEMBL30992200 0.74 SLC6A3 (0.45) SLC6A2SLC6A3PPARG
SCHEMBL15614364 0.74 KMT2A (0.69) RAB9AKMT2ALMNAGAASLC6A2
SCHEMBL23795853 0.73 KMT2A (0.63) RAB9AKMT2ALMNAGAASLC6A2
SCHEMBL13144171 0.73 KMT2A (0.63) RAB9AKMT2ALMNAGAASLC6A2

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-118373738-A Method for preparing gamma-aldehyde carboxylic ester by carbon dioxide 常州大学 2024-07-23 CN disclosed