SCHEMBL14728386

SCHEMBL14728386

CC(C)(C)c1cc(OC(=O)Oc2cccc(OC(=O)Oc3ccccc3)c2)c(C(C)(C)C)cc1OC(=O)Oc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
ATM Q13315 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 4/20 0.40
ALDH1A1 P00352 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
PPARG P37231 1/20 0.40
NCOA2 Q15596 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HPGD P15428 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 2/20 0.38
ELANE P08246 2/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 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
SCHEMBL11406153 0.95 ATM (0.43) KMT2AMEN1ATMTDP1MAPT
SCHEMBL14728395 0.94 CYP3A4 (0.50) KMT2AMEN1TDP1CYP3A4MAPT
SCHEMBL11405200 0.88 ALOX15 (0.50) ATMTDP1CYP3A4MAPTALDH1A1
SCHEMBL247585 0.82 TDP1 (0.58) KMT2AMEN1ATMTDP1MAPT
SCHEMBL10596262 0.81 KMT2A (0.58) KMT2AMEN1ATMTDP1CYP3A4
SCHEMBL247541 0.80 ATM (0.46) KMT2AMEN1ATMTDP1MAPT
SCHEMBL14728392 0.80 PTGS1 (0.37) KMT2AMEN1ATMTDP1MAPT
SCHEMBL2164486 0.76 CA2 (0.46) KMT2AATMTDP1CYP3A4MAPT
SCHEMBL1624312 0.75 MAPT (0.49) KMT2AMEN1ATMTDP1CYP3A4
SCHEMBL20514295 0.75 MAPT (0.50) KMT2AMEN1ATMTDP1MAPT

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