SCHEMBL29699746

SCHEMBL29699746

CCOc1ccc(CCNC(=O)[C@@H](C)O)cc1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.61
ACACB O00763 6/20 0.60
SMN1; SMN2 Q16637 2/20 0.57
NPC1 O15118 1/20 0.57
MAPT P10636 1/20 0.57
RAB9A P51151 1/20 0.57
ALDH1A1 P00352 1/20 0.54
TAS1R3 Q7RTX0 1/20 0.53
TAS1R1 Q7RTX1 1/20 0.53
TAS1R2 Q8TE23 1/20 0.53
LMNA P02545 1/20 0.51
ALPI P09923 1/20 0.51
PKM P14618 1/20 0.51
GLA P06280 1/20 0.50
MEN1 O00255 1/20 0.49
ABCB1 P08183 1/20 0.49

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
SCHEMBL29673799 1.00 KMT2A (0.61) KMT2AACACBSMN1; SMN2NPC1MAPT
SCHEMBL29673862 0.85 SMN1; SMN2 (0.67) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL29673846 0.85 SMN1; SMN2 (0.67) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL29673801 0.84 ACACB (0.63) KMT2AACACBSMN1; SMN2NPC1RAB9A
SCHEMBL29673881 0.84 ACACB (0.63) KMT2AACACBSMN1; SMN2NPC1RAB9A
SCHEMBL12475741 0.81 ACACB (0.86) KMT2AACACBSMN1; SMN2NPC1MAPT
SCHEMBL4519919 0.81 MAPT (0.67) KMT2AACACBSMN1; SMN2NPC1MAPT
SCHEMBL26308661 0.80 ACACB (0.54) KMT2AACACBSMN1; SMN2NPC1MAPT
SCHEMBL4949918 0.80 KDM4E (0.64) SMN1; SMN2NPC1MAPTRAB9ALMNA
SCHEMBL5060920 0.80 KDM4E (0.64) SMN1; SMN2NPC1MAPTRAB9ALMNA

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
CN-114685473-B 5-Alkyl-2-pyrazole-oxazolidine-4-ketone derivative and application thereof 杭州百新生物医药科技有限公司 2024-10-29 CN disclosed
CN-114685473-A 5-alkyl-2-pyrazole-oxazolidine-4-ketone derivative and application thereof 杭州百新生物医药科技有限公司 2022-07-01 CN disclosed