SCHEMBL29593180

SCHEMBL29593180

CC1=CCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.40
GPR119 Q8TDV5 2/20 0.38
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
ADORA1 P30542 1/20 0.35
NR1H2 P55055 3/20 0.35
RXRA P19793 2/20 0.35
NR1H3 Q13133 2/20 0.35
USP2 O75604 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
SCHEMBL29593455 1.00 HSD17B10 (0.40) HSD17B10GPR119KMT2ALMNANPSR1
SCHEMBL31286151 0.87 GPR119 (0.37) HSD17B10GPR119KMT2ALMNANPSR1
SCHEMBL22142845 0.84 GPR119 (0.39) HSD17B10GPR119LMNANPSR1SMN1; SMN2
SCHEMBL22142936 0.84 GPR119 (0.39) HSD17B10GPR119LMNANPSR1SMN1; SMN2
SCHEMBL22142862 0.84 GPR119 (0.39) HSD17B10GPR119LMNANPSR1SMN1; SMN2
SCHEMBL29592649 0.83 HSD17B10 (0.40) HSD17B10GPR119KMT2ALMNANPSR1
SCHEMBL29929712 0.79 MEN1 (0.43) GPR119KMT2ALMNANPSR1NPC1
SCHEMBL11990563 0.75 HSD17B10 (0.35) HSD17B10GPR119LMNANPSR1NR1H2
SCHEMBL29929448 0.75 ALDH1A1 (0.36) HSD17B10KMT2ALMNANPSR1NPC1
SCHEMBL5420095 0.75 HSD17B10 (0.42) HSD17B10GPR119SMN1; SMN2ADORA1NR1H2

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
CN-114591223-A Beta-lactamase inhibitor compounds 恩塔西斯治疗有限公司 2022-06-07 CN disclosed