SCHEMBL29367461

SCHEMBL29367461

CCc1cccc2c(OC)c3ccccc3c(OC)c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 1/20 0.56
MAPK1 P28482 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 1/20 0.38
RECQL P46063 1/20 0.38
GABRA1 P14867 2/20 0.38
GABRB2 P47870 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 1/20 0.38
IDO1 P14902 1/20 0.38
ATM Q13315 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MCL1 Q07820 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL2576344 1.00 KDM4E (0.56) KDM4EALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL27664396 0.83 KDM4E (0.48) KDM4EALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL27993554 0.82 PTGS2 (0.49) KDM4EALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL9686451 0.81 KDM4E (0.50) KDM4EALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL31081036 0.77 MAPT (0.38) ALDH1A1MAPK1SMN1; SMN2L3MBTL1GABRA1
SCHEMBL3728184 0.77 KDM4E (0.45) KDM4EALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL20398708 0.77 HSD17B10 (0.46) KDM4EALDH1A1L3MBTL1TDP1GABRA1
SCHEMBL31081300 0.77 HSD17B10 (0.46) KDM4EALDH1A1L3MBTL1TDP1GABRA1
SCHEMBL20398443 0.76 KDM4E (0.46) KDM4EALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL30529719 0.76 SLC2A1 (0.40) ALDH1A1L3MBTL1TDP1GAACYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114401835-A Additive manufacturing process for preparing silicone elastomer articles 埃肯有机硅法国有限公司 2022-04-26 CN disclosed
EP-3976347-A1 ADDITIVE MANUFACTURING METHOD FOR PRODUCING A SILICONE ELASTOMER ARTICLE Elkem Silicones France SAS (FR) 2022-04-06 EP disclosed
CN-111690308-B Energy-curable composition and use thereof in the field of energy curing 常州强力先端电子材料有限公司 2022-02-01 CN disclosed