SCHEMBL30543794

SCHEMBL30543794

CCCCOC(=O)N1CCC(C(C)C(=O)O)C1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MMP13 P45452 7/20 0.43
MMP2 P08253 5/20 0.43
MMP3 P08254 5/20 0.43
MMP9 P14780 5/20 0.43
MMP8 P22894 5/20 0.43
CHRM1 P11229 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
GAA P10253 1/20 0.37
MMP1 P03956 4/20 0.36
MMP7 P09237 2/20 0.36
GBA2 Q9HCG7 1/20 0.36
HPGD P15428 1/20 0.36
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 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
SCHEMBL29429485 0.88 LMNA (0.47) LMNAPOLBSMN1; SMN2MMP13MMP2
SCHEMBL2361594 0.87 LMNA (0.49) LMNAPOLBSMN1; SMN2MMP13MMP2
SCHEMBL29356156 0.81 LMNA (0.46) LMNAPOLBSMN1; SMN2MMP13MMP2
SCHEMBL7199941 0.81 NPY2R (0.48) LMNAPOLBSMN1; SMN2MMP13MMP2
SCHEMBL29850834 0.80 LMNA (0.56) LMNAPOLBSMN1; SMN2MMP13MMP2
SCHEMBL12468609 0.80 SMN1; SMN2 (0.47) LMNAPOLBSMN1; SMN2MMP13MMP2
SCHEMBL12468859 0.80 SMN1; SMN2 (0.47) LMNAPOLBSMN1; SMN2MMP13MMP2
SCHEMBL9666136 0.78 SMN1; SMN2 (0.46) LMNAPOLBSMN1; SMN2MMP13MMP2
SCHEMBL14159621 0.78 SMN1; SMN2 (0.51) LMNAPOLBSMN1; SMN2CHRM1CHRM2
SCHEMBL2345851 0.78 SMN1; SMN2 (0.51) LMNAPOLBSMN1; SMN2CHRM1CHRM2

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-2023146785-A1 PYRROLIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2023-08-03 WO disclosed