SCHEMBL24947871

SCHEMBL24947871

COc1cc(C/C=C\Cc2ccc(OCC(C)C)c(OC)c2)ccc1OCC(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
GAA P10253 3/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
MAPT P10636 2/20 0.58
HTT P42858 2/20 0.58
KDM4E B2RXH2 1/20 0.58
LMNA P02545 1/20 0.58
PPARA Q07869 2/20 0.51
PPARG P37231 1/20 0.51
PPARD Q03181 1/20 0.51
TSHR P16473 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
TP53 P04637 1/20 0.51
CA2 P00918 1/20 0.46
TDP1 Q9NUW8 2/20 0.44
POLB P06746 1/20 0.44
PTGER4 P35408 1/20 0.43

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
SCHEMBL28069114 0.88 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
Methoxymethane SCHEMBL28899626 0.86 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL11911908 0.82 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL11911904 0.82 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL20314711 0.82 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL580059 0.82 NPC1 (0.54) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL7791111 0.82 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL17857331 0.82 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL27939594 0.81 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL31233263 0.79 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2GAAMEN1KMT2A

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
EP-3770150-B1 METHOD FOR MANUFACTURING CHROMENES BY COPPER SALT CATALYSIS INTENDED FOR THE PREPARATION OF HEAT-SETTING RESINS ARIANEGROUP SAS (FR) 2023-01-25 EP disclosed