SCHEMBL10373370

SCHEMBL10373370

COC(=O)COc1cccc2cc(C#N)c(=O)oc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.50
ADORA2A P29274 2/20 0.50
ADORA1 P30542 2/20 0.50
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
AR P10275 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
CA3 P07451 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA14 Q9ULX7 1/20 0.45

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
SCHEMBL10375101 0.87 ADORA3 (0.53) ADORA3ADORA2AADORA1ALDH1A1HPGD
SCHEMBL10687974 0.86 CNR2 (0.48) ADORA3ADORA2AADORA1ALDH1A1HPGD
SCHEMBL11152052 0.83 ADORA3 (0.61) ADORA3ADORA2AADORA1ALDH1A1HPGD
SCHEMBL11021119 0.82 CNR2 (0.47) ADORA3ADORA2AADORA1HSD17B10CA12
SCHEMBL11155225 0.81 NPC1 (0.58) ADORA3ADORA2AALDH1A1HSD17B10CA12
SCHEMBL11153000 0.81 CNR2 (0.50) ADORA3ADORA2AADORA1CA12CA1
SCHEMBL11018894 0.80 ADORA3 (0.49) ADORA3ADORA2AADORA1CA12CA1
SCHEMBL11150783 0.80 CNR2 (0.57) ADORA3ADORA2AADORA1CA12CA1
2-Methoxyethanol SCHEMBL11144253 0.80 CNR2 (0.45) ADORA3ADORA2AADORA1HSD17B10CA12
SCHEMBL11021501 0.80 CNR2 (0.50) ADORA3ADORA2AADORA1HSD17B10CA12

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
EP-0184801-B1 CHROMENE DERIVATIVE, PROCESS FOR PREPARING THE SAME AND ANTIALLERGIC AGENT CONTAINING THE SAME Kaken Pharmaceutical Co., Ltd. (JP) 1990-09-26 EP disclosed
US-4731375-A Coumarin derivatives and antiallergic agents containing the same KAKEN PHARMACEUTICAL CO., LTD. (JP) 1988-03-15 US disclosed
EP-0184801-A1 Chromene derivative, process for preparing the same and antiallergic agent containing the same Kaken Pharmaceutical Co., Ltd. (JP) 1986-06-18 EP disclosed