SCHEMBL11533901

SCHEMBL11533901

Cc1coc(N2CCCCCC2=O)n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.44
AKR1C3 P42330 5/20 0.36
HSD17B10 Q99714 1/20 0.36
BRD9 Q9H8M2 1/20 0.35
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
HPGD P15428 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
F10 P00742 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL11538895 0.94 L3MBTL1 (0.50) L3MBTL1AKR1C3HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL3513374 0.72 CRHBP (0.38) L3MBTL1HSD17B10ALDH1A1SMN1; SMN2KDM4E
SCHEMBL8358646 0.66 AKR1C3 (0.45) L3MBTL1AKR1C3HSD17B10BRD9ALDH1A1
SCHEMBL15491817 0.66 AKR1C3 (0.50) L3MBTL1AKR1C3BRD9ALDH1A1SMN1; SMN2
SCHEMBL8356124 0.66 AKR1C3 (0.50) L3MBTL1AKR1C3BRD9ALDH1A1SMN1; SMN2
SCHEMBL4461794 0.65 AKR1C3 (0.55) AKR1C3BRD9ALDH1A1SMN1; SMN2LMNA
SCHEMBL12491060 0.65 GPR119 (0.46) L3MBTL1
SCHEMBL2733065 0.65 ALDH1A1 (0.35) L3MBTL1AKR1C3HSD17B10BRD9ALDH1A1
SCHEMBL255160 0.64 AKR1C3 (0.51) L3MBTL1AKR1C3BRD9ALDH1A1SMN1; SMN2
SCHEMBL25322712 0.64 L3MBTL1 (0.38) L3MBTL1AKR1C3HSD17B10ALDH1A1LMNA

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-4150143-A N-Substituted-acylamino-oxazoles as antiasthma agents LILLY INDUSTRIES LIMITED (GB) 1979-04-17 US disclosed
US-4143047-A 2-SULFINYL AND 2-SULFONYL OXAZOLES LILLY INDUSTRIES LIMITED (GB) 1979-03-06 US disclosed
US-4122183-A ANTIASTHMATIC LILLY INDUSTRIES LIMITED (GB) 1978-10-24 US disclosed