SCHEMBL29677972

SCHEMBL29677972

CC(C)(C)OC(=O)N[C@@H](CCC(=O)O)c1nn[nH]n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 2/20 0.69
GRN P28799 1/20 0.42
SORT1 Q99523 1/20 0.42
PRSS1 P07477 1/20 0.39
TMPRSS15 P98073 1/20 0.39
MAPT P10636 1/20 0.36
ALDH1A1 P00352 4/20 0.36
HSD17B10 Q99714 3/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 2/20 0.36
KMT2A Q03164 2/20 0.36
PIN1 Q13526 1/20 0.35
HTT P42858 2/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
XBP1 P17861 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL18762452 0.84 GRN (0.58) NAALAD2GRNSORT1ALDH1A1HSD17B10
SCHEMBL18762450 0.84 GRN (0.58) NAALAD2GRNSORT1ALDH1A1HSD17B10
SCHEMBL29678076 0.81 MAPT (0.51) NAALAD2MAPTALDH1A1HSD17B10MEN1
SCHEMBL16856563 0.81 PIN1 (0.57) MAPTALDH1A1HSD17B10MEN1LMNA
SCHEMBL20204233 0.81 PIN1 (0.57) MAPTALDH1A1HSD17B10MEN1LMNA
SCHEMBL28625198 0.78 KMT2A (0.47) NAALAD2GRNSORT1MAPTALDH1A1
SCHEMBL17021900 0.77 PLA2G2C (0.43) NAALAD2GRNSORT1ALDH1A1LMNA
SCHEMBL17018451 0.77 PPARA (0.54) MAPTALDH1A1HSD17B10MEN1LMNA
SCHEMBL20415885 0.76 GRN (0.47) GRNSORT1MAPTALDH1A1HSD17B10
SCHEMBL29677574 0.76 NAALAD2 (0.40) NAALAD2GRNSORT1MAPTALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4359414-A1 BIFUNCTIONAL FOLATE RECEPTOR BINDING COMPOUNDS Lycia Therapeutics, Inc. (US) 2024-05-01 EP disclosed
EP-4274619-A1 BIFUNCTIONAL FOLATE RECEPTOR BINDING COMPOUNDS Lycia Therapeutics, Inc. (US) 2023-11-15 EP disclosed
WO-2022272307-A1 BIFUNCTIONAL FOLATE RECEPTOR BINDING COMPOUNDS LYCIA THERAPEUTICS, INC. (US) 2022-12-29 WO disclosed
WO-2022150721-A1 BIFUNCTIONAL FOLATE RECEPTOR BINDING COMPOUNDS LYCIA THERAPEUTICS, INC. (US) 2022-07-14 WO disclosed