SCHEMBL15315512

SCHEMBL15315512

COc1cc2c3c(c4c(c2cc1N1CCCC(CO)C1)-c1ccccc1C4(C)C)C=CC(c1ccccc1)(c1ccc(OCCO)cc1)O3

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.33
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL1815191 0.97 CD274 (0.32) CD274CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL13988154 0.94 MAPT (0.33) CD274HTTMAPT
SCHEMBL13988137 0.94 HRH3 (0.31) CD274POLBKMT2AMAPT
SCHEMBL13988230 0.93 MAPT (0.34) CD274HTTMAPT
SCHEMBL30175150 0.93 MAPT (0.34) CD274HTTMAPT
SCHEMBL1046925 0.92 KCNH2 (0.33)
SCHEMBL29453300 0.92 KCNH2 (0.33)
SCHEMBL13988158 0.89 PRKDC (0.33)
SCHEMBL1818315 0.89 KCNH2 (0.33) MAPT
SCHEMBL1044369 0.88 DRD2 (0.31)

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 5 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-8815771-B2 Mechanochromic coating composition PPG INDUSTRIES OHIO, INC. (US) 2014-08-26 US disclosed
WO-2013158379-A1 MECHANOCHROMIC COATING COMPOSITION PPG INDUSTRIES OHIO, INC. (US) 2013-10-24 WO disclosed
US-20130269445-A1 MECHANOCHROMIC COATING COMPOSITION PPG INDUSTRIES OHIO, INC. (US) 2013-10-17 US disclosed
US-20130269445-A1 MECHANOCHROMIC COATING COMPOSITION PPG INDUSTRIES OHIO, INC. (US) 2013-10-17 US disclosed