SCHEMBL14728396

SCHEMBL14728396

CC1(C)CC2(CC(C)(C)c3cc(OC(=O)Oc4cccc(OC(=O)Oc5ccccc5)c4)ccc32)c2ccc(OC(=O)Oc3ccccc3)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
MAPT P10636 3/20 0.39
PPARG P37231 2/20 0.39
ALDH1A1 P00352 1/20 0.39
NCOA2 Q15596 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
RXRA P19793 2/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
MEN1 O00255 2/20 0.37
ACHE P22303 2/20 0.36
BCHE P06276 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 2/20 0.35
RARB P10826 2/20 0.35
RARG P13631 2/20 0.35
RARA P10276 1/20 0.35
TP53 P04637 1/20 0.34
FSHR P23945 1/20 0.34

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
SCHEMBL14728397 0.95 MAPT (0.42) KMT2AMAPTALDH1A1MEN1ACHE
SCHEMBL14728392 0.85 PTGS1 (0.37) KMT2AMAPTPPARGALDH1A1NCOA2
SCHEMBL10596262 0.76 KMT2A (0.58) KMT2AMAPTPPARGALDH1A1NCOA2
SCHEMBL13668364 0.75 KMT2A (0.48) KMT2AMAPTALDH1A1RXRARXRB
SCHEMBL12578478 0.73 TP53 (0.39) KMT2AMAPTPPARGALDH1A1RXRA
SCHEMBL9523050 0.72 RXRA (0.50) PPARGRXRARXRBRXRGRARB
SCHEMBL7804011 0.72 RXRA (0.42) PPARGALDH1A1RXRARXRBRXRG
SCHEMBL8151081 0.72 RXRA (0.42) PPARGALDH1A1RXRARXRBRXRG
SCHEMBL14999386 0.72 RXRA (0.34) KMT2ARXRARXRBRXRGRARB
SCHEMBL17956595 0.71 MEN1 (0.45) KMT2AMAPTALDH1A1NPSR1MEN1

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