SCHEMBL15499732

SCHEMBL15499732

CCc1cc(=O)oc2cc(OCC(C)=O)ccc12

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.79
KMT2A Q03164 5/20 0.79
PKM P14618 3/20 0.79
MEN1 O00255 3/20 0.79
POLB P06746 2/20 0.79
L3MBTL1 Q9Y468 1/20 0.79
HPGD P15428 11/20 0.73
KDM4E B2RXH2 11/20 0.73
HSD17B10 Q99714 5/20 0.73
MAPT P10636 4/20 0.73
LMNA P02545 2/20 0.73
TSHR P16473 1/20 0.73
GAA P10253 1/20 0.69
USP2 O75604 1/20 0.66
RAB9A P51151 4/20 0.64
CYP1A2 P05177 2/20 0.64
CYP2C9 P11712 2/20 0.64
CYP2C19 P33261 2/20 0.64
NPC1 O15118 3/20 0.62
NPSR1 Q6W5P4 1/20 0.61

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
SCHEMBL24198275 0.89 ALDH1A1 (0.74) ALDH1A1KMT2APKMMEN1POLB
SCHEMBL13381685 0.88 ALDH1A1 (0.73) ALDH1A1KMT2APKMMEN1POLB
SCHEMBL11316690 0.85 AR (0.74) ALDH1A1KMT2AMEN1POLBL3MBTL1
SCHEMBL7000666 0.81 ALDH1A1 (0.63) ALDH1A1KMT2APKMMEN1POLB
SCHEMBL6031499 0.80 CYP2D6 (0.76) ALDH1A1KMT2APKMMEN1POLB
SCHEMBL13779255 0.80 KDM4E (0.73) ALDH1A1KMT2APKMMEN1POLB
SCHEMBL7917198 0.79 ALDH1A1 (0.67) ALDH1A1KMT2APKMMEN1POLB
SCHEMBL15944529 0.79 KDM4E (0.69) ALDH1A1KMT2APKMMEN1POLB
SCHEMBL11390831 0.78 ALDH1A1 (0.73) ALDH1A1KMT2APKMMEN1POLB
SCHEMBL16607324 0.77 AGER (0.67) ALDH1A1KMT2APKMMEN1POLB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140066537-A1 ORGANIC COMPOSITIONS FOR REPEATEDLY ADJUSTABLE OPTICAL ELEMENTS AND SUCH ELEMENTS UNIVERSITE DE LIEGE (BE) 2014-03-06 US disclosed