SCHEMBL9614654

SCHEMBL9614654

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
THRB P10828 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 2/20 0.40
RECQL P46063 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALOX12 P18054 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.36
PLIN1 O60240 1/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.36
PLIN5 Q00G26 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
SCHEMBL9745987 0.93 MAPT (0.35) MAPTTHRBSMN1; SMN2KDM4EALDH1A1
SCHEMBL9386917 0.84 KDM4E (0.33) MAPTTHRBSMN1; SMN2KDM4EALDH1A1
SCHEMBL9323992 0.83 MAPT (0.52) MAPTTHRBSMN1; SMN2KDM4EALDH1A1
SCHEMBL9230491 0.80 MAPT (0.52) MAPTTHRBSMN1; SMN2KDM4EALDH1A1
SCHEMBL9226446 0.79 MAPT (0.58) MAPTTHRBSMN1; SMN2KDM4EALDH1A1
SCHEMBL9224085 0.77 MAPT (0.50) MAPTTHRBSMN1; SMN2KDM4EALDH1A1
SCHEMBL9325800 0.77 KDM4E (0.37) MAPTTHRBSMN1; SMN2KDM4EALDH1A1
SCHEMBL9840832 0.76 KDM4E (0.40) MAPTTHRBSMN1; SMN2KDM4EALDH1A1
SCHEMBL9227991 0.75 MAPT (0.45) MAPTTHRBSMN1; SMN2KDM4EALDH1A1
SCHEMBL23604680 0.74 MAPT (0.36) 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 4 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
EP-0480932-A1 PHOTOCHROMIC POLYMERIC ARTICLE. PPG INDUSTRIES INC (US) 1992-04-22 EP disclosed
US-4994208-A Curable blend of allyl carbonate, acrylated polyurethane and allyl acrylates PPG INDUSTRIES, INC. (US) 1991-02-19 US disclosed
WO-1990012819-A1 PHOTOCHROMIC POLYMERIC ARTICLE PPG INDUSTRIES, INC. (US) 1990-11-01 WO disclosed