SCHEMBL16661815

SCHEMBL16661815

C=C(C)C(=O)OCC(O)COC(=O)c1ccc2cc(OC)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.49
ADRB1 P08588 3/20 0.49
ADRB3 P13945 3/20 0.49
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 3/20 0.44
CYP1A2 P05177 2/20 0.44
HPGD P15428 2/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 3/20 0.41
LMNA P02545 3/20 0.40
POLB P06746 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAOA P21397 1/20 0.39
SLC6A2 P23975 1/20 0.39

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
SCHEMBL19316658 0.92 ADRB2 (0.54) ADRB2ADRB1ADRB3MAPTLMNA
SCHEMBL16659774 0.89 ADRB2 (0.50) ADRB2ADRB1ADRB3MAPTLMNA
SCHEMBL16661860 0.89 ADRB2 (0.61) ADRB2ADRB1ADRB3ALDH1A1MAPT
SCHEMBL13135914 0.88 ADRB2 (0.62) ADRB2ADRB1ADRB3KDM4EALDH1A1
SCHEMBL16661817 0.85 KDM4E (0.51) KDM4EALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL17280571 0.84 ADRB2 (0.55) ADRB2ADRB1ADRB3KDM4EALDH1A1
SCHEMBL10875780 0.83 ADRB2 (0.50) ADRB2ADRB1ADRB3ALDH1A1TSHR
SCHEMBL21422410 0.82 ADRB2 (0.49) ADRB2ADRB1ADRB3MAPTLMNA
SCHEMBL9816076 0.81 ALDH1A1 (0.50) ADRB2ADRB1ADRB3KDM4EALDH1A1
SCHEMBL10871661 0.80 ADRB2 (0.50) ADRB2ADRB1ADRB3ALDH1A1TSHR

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-9068082-B2 Colored curable composition and color filter FUJIFILM CORPORATION (JP) 2015-06-30 US disclosed
US-20150108086-A1 COLORED CURABLE COMPOSITION AND COLOR FILTER FUJIFILM CORPORATION (JP) 2015-04-23 US disclosed