SCHEMBL9745987

SCHEMBL9745987

CCCN1c2ccc(C)cc2C(C)(CC)C12C=Nc1c(OC)cc(OC)cc1O2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
THRB P10828 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 2/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 2/20 0.35
RECQL P46063 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
ALOX12 P18054 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.32
PLIN1 O60240 1/20 0.32
PKM P14618 1/20 0.32
TSHR P16473 1/20 0.32
PLIN5 Q00G26 1/20 0.32

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
SCHEMBL9614654 0.93 MAPT (0.40) MAPTTHRBSMN1; SMN2KDM4EALDH1A1
SCHEMBL9386917 0.85 KDM4E (0.33) MAPTTHRBSMN1; SMN2KDM4EALDH1A1
SCHEMBL9323992 0.81 MAPT (0.52) MAPTTHRBSMN1; SMN2KDM4EALDH1A1
SCHEMBL9230491 0.78 MAPT (0.52) MAPTTHRBSMN1; SMN2KDM4EALDH1A1
SCHEMBL9325800 0.77 KDM4E (0.37) MAPTTHRBSMN1; SMN2KDM4EALDH1A1
SCHEMBL9224085 0.76 MAPT (0.50) MAPTTHRBSMN1; SMN2KDM4EALDH1A1
SCHEMBL9840832 0.74 KDM4E (0.40) MAPTTHRBSMN1; SMN2KDM4EALDH1A1
SCHEMBL23604680 0.73 MAPT (0.36) MAPTTHRBSMN1; SMN2KDM4EALDH1A1
SCHEMBL9226446 0.72 MAPT (0.58) MAPTTHRBSMN1; SMN2KDM4EALDH1A1
SCHEMBL20996957 0.71 MAPT (0.43) MAPTTHRBSMN1; SMN2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5110881-A Polymerizable organic resin composition PPG INDUSTRIES, INC. (US) 1992-05-05 US disclosed
US-4994208-A Curable blend of allyl carbonate, acrylated polyurethane and allyl acrylates PPG INDUSTRIES, INC. (US) 1991-02-19 US disclosed