SCHEMBL7916079

SCHEMBL7916079

CCOc1ccc(CC(=O)NC(C)=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ RAB9A P51151 2/20 0.57
▸ NPC1 O15118 1/20 0.57
▸ HPGD P15428 1/20 0.57
▸ MAPT P10636 2/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ LMNA P02545 3/20 0.56
▸ CYP1A2 P05177 2/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ CNR2 P34972 1/20 0.55
▸ NLRP3 Q96P20 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ PDE4A P27815 1/20 0.54
▸ HIF1A Q16665 1/20 0.54
▸ HDAC10 Q969S8 1/20 0.54
▸ HDAC6 Q9UBN7 1/20 0.54
▸ MAPK8 P45983 1/20 0.52

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
SCHEMBL7905684 0.84 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1LMNACYP1A2KDM4E
SCHEMBL8290681 0.83 SMN1; SMN2 (0.76) SMN1; SMN2RAB9ANPC1HPGDMAPT
SCHEMBL7905681 0.83 HTT (0.71) SMN1; SMN2RAB9ANPC1MAPTALDH1A1
SCHEMBL8352827 0.83 SMN1; SMN2 (0.60) SMN1; SMN2RAB9ANPC1HPGDMAPT
SCHEMBL7913801 0.83 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1LMNACYP1A2KDM4E
SCHEMBL7919541 0.83 KDM4E (0.54) SMN1; SMN2MAPTALDH1A1KMT2ALMNA
SCHEMBL7917566 0.82 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1LMNACYP1A2KDM4E
SCHEMBL7919550 0.81 KDM4E (0.52) SMN1; SMN2ALDH1A1KMT2ALMNACYP1A2
SCHEMBL2628188 0.80 POLB (0.59) SMN1; SMN2RAB9ANPC1HPGDMAPT
SCHEMBL19091783 0.80 SMN1; SMN2 (0.57) SMN1; SMN2RAB9ANPC1HPGDMAPT

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
WO-2010048340-A2 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2010-04-29 — — WO disclosed
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