SCHEMBL15315511

SCHEMBL15315511

COc1ccc(C2(c3ccc(OCCO)cc3)C=Cc3c4c(c5cc(OC)c(OC)cc5c3O2)-c2ccc(OC=O)cc2C4(C)C)cc1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 3/20 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
SCHEMBL15318062 0.89 ALK (0.36) ALK
SCHEMBL26231110 0.88 PDK2 (0.31) ALK
SCHEMBL1815536 0.87 PTGDR2 (0.34) ALK
SCHEMBL30750473 0.87 PTGDR2 (0.34) ALK
SCHEMBL1815196 0.87 ALK (0.37) ALK
SCHEMBL8511089 0.85
SCHEMBL30708924 0.85 KDM4E (0.34)
SCHEMBL3705699 0.85 KDM4E (0.34)
SCHEMBL29453316 0.84 LMNA (0.32) ALK
SCHEMBL3251239 0.84 LMNA (0.32) ALK

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-8815771-B2 Mechanochromic coating composition PPG INDUSTRIES OHIO, INC. (US) 2014-08-26 US disclosed
US-20130269445-A1 MECHANOCHROMIC COATING COMPOSITION PPG INDUSTRIES OHIO, INC. (US) 2013-10-17 US disclosed