SCHEMBL28910185

SCHEMBL28910185

C=C(OCCc1ccccc1)C(=O)OCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
HCAR2 Q8TDS4 1/20 0.47
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
TP53 P04637 1/20 0.45
GLA P06280 1/20 0.45
CYP3A4 P08684 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
HIF1A Q16665 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL20849670 0.87 MAPT (0.59) MAPTALDH1A1SMN1; SMN2HCAR2ESR1
SCHEMBL21065585 0.86 ALDH1A1 (0.48) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6491861 0.84 HCAR2 (0.47) ALDH1A1SMN1; SMN2HCAR2ESR1ESR2
SCHEMBL318099 0.83 ALDH1A1 (0.55) MAPTALDH1A1SMN1; SMN2HCAR2MEN1
SCHEMBL2383703 0.83 THRB (0.54) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL756840 0.81 HCAR2 (0.54) ALDH1A1SMN1; SMN2HCAR2ESR1ESR2
SCHEMBL28021235 0.80 LMNA (0.54) MAPTALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL6660310 0.80 ALDH1A1 (0.55) MAPTALDH1A1SMN1; SMN2HCAR2MEN1
SCHEMBL29048572 0.80 ALDH1A1 (0.44) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2023807 0.80 HCAR2 (0.53) MAPTALDH1A1SMN1; SMN2HCAR2ESR1

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
CN-115349100-A Laminated body 住友化学株式会社 2022-11-15 CN disclosed
CN-115335740-A Laminated body 住友化学株式会社 2022-11-11 CN disclosed