SCHEMBL10873019

SCHEMBL10873019

O=C(O)Oc1cc2c(cc1OC(=O)O)C(=O)c1cc3ccccc3cc1C2=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.42
GPR84 Q9NQS5 1/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
BCL2 P10415 1/20 0.39
MCL1 Q07820 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
PTGES O14684 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL6053641 0.89 TTR (0.53) TTRALDH1A1MAPTTDP1MEN1
SCHEMBL7058048 0.84 KDM4E (0.52) GPR84KDM4EALDH1A1MAPTTDP1
SCHEMBL379864 0.80 KDM4E (0.48) GPR84KDM4EALDH1A1MAPTTDP1
SCHEMBL8599050 0.77 TTR (0.46) TTRALDH1A1MAPTTDP1MEN1
SCHEMBL10351393 0.77 TYMS (0.44) KDM4EALDH1A1MAPTHPGDMEN1
SCHEMBL30130196 0.77 MEN1 (0.56) TTRKDM4EALDH1A1MAPTTDP1
SCHEMBL354514 0.77 MEN1 (0.56) TTRKDM4EALDH1A1MAPTTDP1
SCHEMBL29364188 0.77 MEN1 (0.56) TTRKDM4EALDH1A1MAPTTDP1
SCHEMBL16144676 0.75 MEN1 (0.53) KDM4EALDH1A1MAPTTDP1HPGD
SCHEMBL29634145 0.75 MEN1 (0.53) KDM4EALDH1A1MAPTTDP1HPGD

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-0195743-A2 Enol ethers, process for their preparation, alpha-pyrones, process for their preparation and use of the alpha-pyrones CIBA-GEIGY AG (CH) 1986-09-24 EP disclosed