SCHEMBL14728392

SCHEMBL14728392

CC(C)(C)c1cc(OC(=O)Oc2ccc3c(c2)C(C)(C)CC32CC(C)(C)c3cc(OC(=O)Oc4ccccc4)ccc32)c(C(C)(C)C)cc1OC(=O)Oc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.37
PTGS2 P35354 3/20 0.37
ALOX5 P09917 1/20 0.37
MAPT P10636 4/20 0.34
NPSR1 Q6W5P4 3/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
PPARG P37231 1/20 0.34
NCOA2 Q15596 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
POLB P06746 1/20 0.33
LPAR1 Q92633 1/20 0.32
ATM Q13315 3/20 0.32
ELANE P08246 2/20 0.32
MEN1 O00255 1/20 0.31

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
SCHEMBL14728396 0.85 KMT2A (0.39) MAPTNPSR1KMT2AALDH1A1PPARG
SCHEMBL11406153 0.81 ATM (0.43) MAPTNPSR1KMT2AALDH1A1PPARG
SCHEMBL14728397 0.81 MAPT (0.42) MAPTKMT2AALDH1A1TDP1ELANE
SCHEMBL14728386 0.80 KMT2A (0.41) MAPTNPSR1KMT2AALDH1A1PPARG
SCHEMBL11405200 0.78 ALOX15 (0.50) MAPTALDH1A1TDP1L3MBTL1POLB
SCHEMBL14728395 0.75 CYP3A4 (0.50) PTGS1PTGS2MAPTKMT2AALDH1A1
SCHEMBL247585 0.70 TDP1 (0.58) MAPTNPSR1KMT2AALDH1A1TDP1
SCHEMBL6657150 0.68 ALDH1A1 (0.47) MAPTNPSR1KMT2AALDH1A1PPARG
SCHEMBL13668364 0.68 KMT2A (0.48) MAPTKMT2AALDH1A1TDP1L3MBTL1
SCHEMBL12578478 0.66 TP53 (0.39) MAPTKMT2AALDH1A1PPARGL3MBTL1

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-8669315-B2 Polycarbonate compositions and methods for the manufacture and use thereof SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2014-03-11 US disclosed
US-20130053487-A1 POLYCARBONATE COMPOSITIONS AND METHODS FOR THE MANUFACTURE AND USE THEREOF SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2013-02-28 US disclosed