SCHEMBL2909323

SCHEMBL2909323

CCOC(=O)c1ccc(CCC(C)C)c(CC)c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
HSD17B10 Q99714 3/20 0.42
TSHR P16473 2/20 0.41
GAA P10253 3/20 0.39
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
POLB P06746 1/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAOA P21397 1/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL4914060 0.86 ALDH1A1 (0.51) ALDH1A1HSD17B10TSHRGAAMAPK1
SCHEMBL28644147 0.84 GABRA1 (0.44) ALDH1A1HSD17B10TSHRGAAMAPK1
SCHEMBL4627253 0.77 TSHR (0.39) ALDH1A1HSD17B10TSHRMAPK1SMN1; SMN2
SCHEMBL4075236 0.77 ALDH1A1 (0.45) ALDH1A1HSD17B10TSHRGAAMAPK1
SCHEMBL14953087 0.77 ALDH1A1 (0.54) ALDH1A1HSD17B10TSHRGAAMAPK1
SCHEMBL11722851 0.76 ALDH1A1 (0.50) ALDH1A1HSD17B10TSHRGAAMAPK1
SCHEMBL28328739 0.75 ALDH1A1 (0.53) ALDH1A1HSD17B10TSHRGAAMAPK1
SCHEMBL8199986 0.75 CA12 (0.44) ALDH1A1HSD17B10TSHRMAPK1CA12
SCHEMBL29161902 0.74 ALDH1A1 (0.51) ALDH1A1HSD17B10TSHRGAAMAPK1
SCHEMBL2910003 0.74 PTGER4 (0.41) ALDH1A1HSD17B10TSHRGAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8475996-B2 Photosensitive resin composition ASAHI KASEI E-MATERIALS CORPORATION (JP) 2013-07-02 US disclosed
EP-2221326-A1 PHOTOSENSITIVE RESIN COMPOSITION Asahi Kasei E-materials Corporation (JP) 2010-08-25 EP disclosed
US-20100209669-A1 PHOTOSENSITIVE RESIN COMPOSITION ASAHI KASEI E-MATERIALS CORPORATION (JP) 2010-08-19 US disclosed