SCHEMBL8701885

SCHEMBL8701885

c1nnc(CCN2CCOCC2)s1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
SIGMAR1 Q99720 2/20 0.41
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CNR1 P21554 3/20 0.39
POLB P06746 2/20 0.39
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
KDM1A O60341 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.35
KEAP1 Q14145 1/20 0.35
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL8701713 0.83 L3MBTL1 (0.51) ALDH1A1SIGMAR1SMN1; SMN2MEN1KMT2A
SCHEMBL16982100 0.73 LTA4H (0.42) ALDH1A1SIGMAR1MAPK1HSD17B10CNR1
SCHEMBL8706167 0.73 ALDH1A1 (0.42) ALDH1A1MAPK1SMN1; SMN2KMT2ALMNA
SCHEMBL1779278 0.71 LTA4H (0.42) ALDH1A1SIGMAR1CNR1POLBHTT
SCHEMBL3176062 0.71 ADORA2A (0.41) ALDH1A1SIGMAR1HSD17B10POLBSMN1; SMN2
SCHEMBL12263487 0.70 MAPK1 (0.49) ALDH1A1SIGMAR1MAPK1HSD17B10POLB
SCHEMBL7308113 0.70 SIGMAR1 (0.41) ALDH1A1SIGMAR1MAPK1HSD17B10CNR1
SCHEMBL2400051 0.70 L3MBTL1 (0.71) ALDH1A1MAPK1HSD17B10POLBSMN1; SMN2
SCHEMBL8814161 0.67 ALDH1A1 (0.47) ALDH1A1SIGMAR1MAPK1POLBHTT
SCHEMBL235080 0.66 KDM4E (0.65) ALDH1A1SIGMAR1HSD17B10POLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5773456-A EMPHYSEMA, RHEUMATOID ARTHRITIS AND PANCREATITIS SANOFI (FR) 1998-06-30 US disclosed