SCHEMBL7056554

SCHEMBL7056554

CCC(C)(C)c1ccc2oc(-c3ccc(-c4nc5cc(C(C)(C)CC)ccc5o4)s3)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 6/20 0.55
UTRN P46939 2/20 0.44
NPC1 O15118 8/20 0.43
RAB9A P51151 8/20 0.43
GFER P55789 3/20 0.43
KDM4E B2RXH2 6/20 0.38
HSD17B10 Q99714 4/20 0.38
TP53 P04637 3/20 0.38
MAPT P10636 3/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HPGD P15428 5/20 0.37
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NFKB1 P19838 1/20 0.37

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
SCHEMBL5708121 0.88 F2RL3 (0.44) F2RL3UTRNNPC1RAB9AGFER
SCHEMBL5708124 0.86 F2RL3 (0.44) F2RL3UTRNNPC1RAB9AGFER
SCHEMBL264177 0.85 NPC1 (0.54) F2RL3UTRNNPC1RAB9AGFER
SCHEMBL29357328 0.85 NPC1 (0.54) F2RL3UTRNNPC1RAB9AGFER
SCHEMBL11887467 0.81 F2RL3 (0.51) F2RL3UTRNNPC1RAB9AGFER
SCHEMBL23630618 0.80 F2RL3 (0.50) F2RL3NPC1RAB9AGFERKDM4E
SCHEMBL1179760 0.80 NPC1 (0.43) F2RL3UTRNNPC1RAB9AGFER
SCHEMBL18748509 0.80 RAB9A (0.52) F2RL3NPC1RAB9AGFERKDM4E
SCHEMBL16938561 0.79 NPC1 (0.43) F2RL3UTRNNPC1RAB9AGFER
SCHEMBL6924910 0.78 RAB9A (0.67) F2RL3UTRNNPC1RAB9AGFER

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-20030129283-A1 Food and beverage metallic containers and closures having light sensitive UV coating FABRICAS MONTERREY, S.A. DE C.V. (MX) 2003-07-10 US claimed
US-20030129283-A1 Food and beverage metallic containers and closures having light sensitive UV coating FABRICAS MONTERREY, S.A. DE C.V. (MX) 2003-07-10 US disclosed