SCHEMBL24110697

SCHEMBL24110697

C=C1OC(=O)c2ccc(Oc3ccc(Oc4ccc(C(=O)OC)c(C=O)c4)cc3)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 2/20 0.33
CA2 P00918 1/20 0.33
RAB9A P51151 1/20 0.33
HCRTR1 O43613 1/20 0.33

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
SCHEMBL24110827 0.85 MEN1 (0.33) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL18537723 0.81 CA2 (0.42) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL22176451 0.80 CA2 (0.43) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL23368313 0.79 MAOA (0.38) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL22726039 0.79 CA2 (0.36) KDM4EMAPTMEN1HTTCACNA1B
SCHEMBL18807680 0.78 CA2 (0.42) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL13060363 0.76 CA2 (0.43) MAPTL3MBTL1POLBCA2
SCHEMBL18922916 0.76 CA2 (0.33) MAPTMEN1HTTCACNA1BAPBA1
SCHEMBL22919810 0.75 CA2 (0.38) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL19494829 0.75 ERN1 (0.46) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19

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-2021252169-A1 METHODS OF MANUFACTURE OF DIANHYDRIDES CHAULAGAIN MANI (US) 2021-12-16 WO disclosed