SCHEMBL25199444

SCHEMBL25199444

CCOc1cc(N(CC)c2ccccc2)ccc1C1(c2c(C)n(CC)c3ccccc23)OC(=O)c2ncccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
TP53 P04637 3/20 0.34
THRB P10828 1/20 0.34
KDM4E B2RXH2 2/20 0.32
MAPT P10636 3/20 0.32
ADORA2A P29274 1/20 0.31
LMNA P02545 2/20 0.31
HTT P42858 1/20 0.31
PKM P14618 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30
METAP2 P50579 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL25190734 0.93 ALDH1A1 (0.32) ALDH1A1GSK3AGSK3BSMN1; SMN2TP53
SCHEMBL25191553 0.92 GSK3A (0.38) ALDH1A1GSK3AGSK3BSMN1; SMN2TP53
SCHEMBL211485 0.91 GSK3A (0.36) ALDH1A1GSK3AGSK3BSMN1; SMN2TP53
SCHEMBL29735694 0.91 GSK3A (0.36) ALDH1A1GSK3AGSK3BSMN1; SMN2TP53
SCHEMBL8024670 0.91 GSK3A (0.36) ALDH1A1GSK3AGSK3BSMN1; SMN2TP53
SCHEMBL716663 0.89 ALDH1A1 (0.35) ALDH1A1GSK3AGSK3BSMN1; SMN2TP53
SCHEMBL29496970 0.89 ALDH1A1 (0.35) ALDH1A1GSK3AGSK3BSMN1; SMN2TP53
SCHEMBL25189809 0.85 GSK3A (0.34) ALDH1A1GSK3AGSK3BSMN1; SMN2TP53
SCHEMBL21142027 0.85 GSK3A (0.38) ALDH1A1GSK3AGSK3BSMN1; SMN2TP53
SCHEMBL3234897 0.84 CNR2 (0.37) ALDH1A1KDM4ELMNAMEN1KMT2A

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
WO-2023085225-A1 METHOD FOR MANUFACTURING RECYCLED RESIN COMPOSITION 住友化学株式会社 2023-05-19 WO disclosed