SCHEMBL20867976

SCHEMBL20867976

CC(C)COC(=O)c1ccc(C#N)c2c(C(=O)OCC(C)C)ccc(C#N)c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
TSHR P16473 1/20 0.56
XDH P47989 6/20 0.45
SLC22A12 Q96S37 1/20 0.45
MAPT P10636 3/20 0.44
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TP53 P04637 1/20 0.43
NPY1R P25929 1/20 0.43
NPY2R P49146 1/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 1/20 0.40
ADRB2 P07550 1/20 0.38

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
SCHEMBL30825187 0.94 ALDH1A1 (0.50) ALDH1A1TSHRXDHSLC22A12MAPT
SCHEMBL30824994 0.94 ALDH1A1 (0.50) ALDH1A1TSHRXDHSLC22A12MAPT
SCHEMBL27830758 0.94 XDH (0.50) ALDH1A1TSHRXDHSLC22A12MAPT
SCHEMBL29450804 0.94 ALDH1A1 (0.50) ALDH1A1TSHRXDHSLC22A12MAPT
SCHEMBL20399449 0.94 ALDH1A1 (0.50) ALDH1A1TSHRXDHSLC22A12MAPT
SCHEMBL30424903 0.94 ALDH1A1 (0.50) ALDH1A1TSHRXDHSLC22A12MAPT
SCHEMBL893152 0.94 ALDH1A1 (0.50) ALDH1A1TSHRXDHSLC22A12MAPT
SCHEMBL3403671 0.90 ALDH1A1 (0.49) ALDH1A1TSHRXDHSLC22A12MAPT
SCHEMBL7045931 0.89 XDH (0.46) ALDH1A1TSHRXDHSLC22A12MAPT
SCHEMBL26082044 0.87 ALDH1A1 (0.43) ALDH1A1TSHRXDHSLC22A12MAPT

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-10784414-B2 Light source unit, laminated member, and display and lighting apparatus including them TORAY INDUSTRIES, INC. (JP) 2020-09-22 US disclosed
US-20190103521-A1 LIGHT SOURCE UNIT, LAMINATED MEMBER, AND DISPLAY AND LIGHTING APPARATUS INCLUDING THEM TORAY INDUSTRIES, INC. (JP) 2019-04-04 US disclosed