SCHEMBL6814281

SCHEMBL6814281

CCC1(CC)c2cc(OC)c(OC)cc2-c2c1cc(O)c1cc(OC)c(OC)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.37
CDK4 P11802 2/20 0.37
CCND1 P24385 2/20 0.37
HMGCR P04035 2/20 0.34
CDK2 P24941 2/20 0.33
CCNA2 P20248 1/20 0.33
CCNA1 P78396 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
PLK4 O00444 1/20 0.32
CHEK1 O14757 1/20 0.32
AURKA O14965 1/20 0.32
NTRK1 P04629 1/20 0.32
LCK P06239 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
SCHEMBL6818231 0.81 PARP1 (0.37) GSK3BCDK4CCND1CDK2CCNA2
SCHEMBL164415 0.76 PDK2 (0.40) MEN1GAAKMT2A
SCHEMBL30658970 0.75 GSK3B (0.32) GSK3BCDK4CCND1HMGCRCDK2
SCHEMBL1531822 0.73 KMT2A (0.41) GSK3BCDK4CCND1CA1CA2
SCHEMBL1531801 0.72 PDK2 (0.36) GSK3BCDK4CCND1CA1CA2
SCHEMBL10049773 0.70 EP300 (0.33) CA1CA2CA7CA9MEN1
SCHEMBL165110 0.69 PDK2 (0.40) CA1CA2MEN1GAAKMT2A
SCHEMBL30125362 0.69 PDK2 (0.40) CA1CA2MEN1GAAKMT2A
SCHEMBL1711142 0.69 EP300 (0.45) CDK2CA1CA2MEN1GAA
SCHEMBL12424633 0.69 ESR1 (0.40) CA1CA2MEN1GAAKMT2A

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
EP-1214311-B1 NOVEL INDENO-FUSED PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 2004-09-15 EP disclosed
EP-1214311-A1 NOVEL INDENO-FUSED PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 2002-06-19 EP disclosed
US-6296785-B1 OPHTHALMIC AND CONTACT LENSES; WINDOWS, SAFETY GLASS FOR CARS PPG INDUSTRIES OHIO, INC. 2001-10-02 US disclosed
WO-2001019813-A1 NOVEL INDENO-FUSED PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 2001-03-22 WO disclosed