SCHEMBL29109693

SCHEMBL29109693

O=C(O)Cc1ccc2c(c1O)C(=O)c1c(O)cccc1C2=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 12/20 0.68
CTSG P08311 7/20 0.68
FTO Q9C0B1 2/20 0.62
MAOA P21397 3/20 0.59
ALDH1A1 P00352 3/20 0.59
MAPT P10636 3/20 0.59
TSHR P16473 3/20 0.59
TDP1 Q9NUW8 3/20 0.59
LMNA P02545 2/20 0.59
HPGD P15428 2/20 0.59
ALOX15 P16050 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
HSD17B10 Q99714 2/20 0.59
MAOB P27338 2/20 0.59
MAPK1 P28482 2/20 0.59
HTT P42858 1/20 0.59
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
TTR P02766 2/20 0.51
KDM4E B2RXH2 2/20 0.51

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
SCHEMBL30146426 0.89 ELANE (0.53) ELANECTSGFTOMAOAALDH1A1
SCHEMBL31256477 0.86 ELANE (0.68) ELANECTSGMAOAALDH1A1MAPT
SCHEMBL8382020 0.85 ELANE (0.74) ELANECTSGFTOMAOAALDH1A1
SCHEMBL8386391 0.82 ELANE (0.72) ELANECTSGMAPTMEN1KMT2A
SCHEMBL30293178 0.82 ELANE (0.69) ELANECTSGFTOMAOAALDH1A1
SCHEMBL16431201 0.80 ELANE (0.50) ELANECTSGFTOMAOAALDH1A1
SCHEMBL11236785 0.78 ELANE (0.68) ELANECTSGFTOMAOAALDH1A1
SCHEMBL6901176 0.77 MAOA (0.77) ELANECTSGFTOMAOAALDH1A1
SCHEMBL29929513 0.77 MAOA (0.77) ELANECTSGFTOMAOAALDH1A1
SCHEMBL19202478 0.77 MAPT (0.48) ELANECTSGFTOMAOAALDH1A1

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
CN-117098748-A System and method for anthraquinone functionalization 哈佛学院 2023-11-21 CN disclosed