SCHEMBL21030440

SCHEMBL21030440

O=C1c2ccccc2C2(O)OCc3ccccc3C12O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 4/20 0.50
MAPT P10636 4/20 0.50
APAF1 O14727 3/20 0.50
KDM4E B2RXH2 3/20 0.50
NSD2 O96028 2/20 0.50
RECQL P46063 2/20 0.50
KMT2A Q03164 1/20 0.50
SAE1 Q9UBE0 1/20 0.50
UBA2 Q9UBT2 1/20 0.50
ALDH1A1 P00352 6/20 0.48
SMAD3 P84022 1/20 0.48
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
ABL1 P00519 1/20 0.42
GALK1 P51570 1/20 0.42
BLM P54132 1/20 0.42
PPP1CA P62136 1/20 0.42
RIN1 Q13671 1/20 0.42
SENP8 Q96LD8 1/20 0.42

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
SCHEMBL15686104 0.73 MAPT (0.56) TDP2MAPTAPAF1KDM4ENSD2
SCHEMBL15686155 0.70 ALDH1A1 (0.56) TDP2MAPTAPAF1KDM4ENSD2
SCHEMBL15642099 0.69 ALDH1A1 (0.52) TDP2MAPTAPAF1KDM4ENSD2
SCHEMBL28600721 0.69 SIGMAR1 (0.40) AVPR1A
SCHEMBL15642398 0.68 TDP2 (0.53) TDP2MAPTAPAF1KDM4ENSD2
SCHEMBL29368014 0.68 MAPT (0.50) TDP2MAPTAPAF1KDM4ENSD2
SCHEMBL15642248 0.68 MAPT (0.50) TDP2MAPTAPAF1KDM4ENSD2
SCHEMBL15642056 0.67 MAPT (0.56) TDP2MAPTAPAF1KDM4ENSD2
SCHEMBL28598588 0.66 MAPK1 (0.39) SMN1; SMN2MAPK1AVPR1A
SCHEMBL28335423 0.66 SIGMAR1 (0.38) AVPR1A

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-2722042-B1 INDANONE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS OR OPTICAL ISOMERS THEREOF, PREPARATION METHOD FOR SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING VIRAL DISEASES KOREA RES INST CHEMICAL TECH (KR) 2019-05-29 EP disclosed