SCHEMBL23943084

SCHEMBL23943084

Cc1c(O)c(O)c(-c2c3ccccc3c(-c3ccc(-c4cccc5ccccc45)cc3)c3c2ccc2ccccc23)c(O)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP3 O14638 1/20 0.39
▸ ENPP1 P22413 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ PPARG P37231 8/20 0.37
▸ PPARA Q07869 8/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ PPARD Q03181 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
SCHEMBL24689595 0.93 HDAC8 (0.42) ENPP3ENPP1HDAC8HDAC6PPARG
SCHEMBL24715349 0.89 ENPP3 (0.44) ENPP3ENPP1HDAC8HDAC6PPARG
SCHEMBL12333231 0.82 HDAC8 (0.49) ENPP3ENPP1HPGDHDAC8HDAC6
SCHEMBL25638871 0.81 ENPP3 (0.40) ENPP3ENPP1HDAC8HDAC6PPARG
SCHEMBL24859414 0.79 CA12 (0.39) ENPP3ENPP1CYP3A4HPGDTSHR
SCHEMBL25731913 0.77 ENPP3 (0.42) ENPP3ENPP1HDAC8HDAC6PPARG
SCHEMBL24378387 0.76 ENPP3 (0.43) ENPP3ENPP1HDAC8HDAC6PPARG
SCHEMBL25724119 0.74 ENPP3 (0.43) ENPP3ENPP1HDAC8HDAC6PPARG
SCHEMBL24925934 0.74 HDAC8 (0.42) ENPP3ENPP1HPGDHDAC8HDAC6
SCHEMBL26048797 0.73 HSD17B1 (0.38) CYP3A4HPGDCYP2C9CYP2C19MCL1

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-2021210305-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE 出光興産株式会社 2021-10-21 — — WO disclosed
Send feedback