SCHEMBL30865006

SCHEMBL30865006

COc1cc(-c2ccc(-c3ccc(-c4cc(OC)c(C=O)cc4OC)cc3)cc2)c(OC)cc1C=O

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
KDM4E B2RXH2 1/20 0.62
TSHR P16473 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
ERN1 O75460 13/20 0.49
PRKDC P78527 1/20 0.47
MAPT P10636 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL30729964 0.93 ALDH1A1 (0.55) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL9717769 0.89 ALDH1A1 (0.58) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL30865007 0.86 ALDH1A1 (0.75) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL6224414 0.82 ALDH1A1 (0.58) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL3136850 0.82 ALDH1A1 (0.90) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL24663368 0.81 ALDH1A1 (0.57) ALDH1A1TSHRTDP1MAPTHPGD
SCHEMBL12121709 0.78 ALDH1A1 (0.49) ALDH1A1KDM4ETSHRTDP1ERN1
Asaraldehyde SCHEMBL29456596 0.78 ALDH1A1 (1.00) ALDH1A1KDM4ETSHRTDP1ERN1
Asaraldehyde SCHEMBL333451 0.78 ALDH1A1 (1.00) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL14473833 0.76 ERN1 (0.59) ALDH1A1KDM4ETSHRTDP1ERN1

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-2024063699-A1 COVALENT ORGANIC FRAMEWORKS USED AS SOLID PROTON-CONDUCTING MEMBRANE NATIONAL UNIVERSITY OF SINGAPORE (SG) 2024-03-28 WO disclosed