SCHEMBL31107708

SCHEMBL31107708

C[C@H](N)[C@@H](N)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.46
NOS3 P29474 1/20 0.46
NOS2 P35228 1/20 0.46
CA12 O43570 1/20 0.34
CA14 Q9ULX7 1/20 0.34
LMNA P02545 2/20 0.33
KMT2A Q03164 1/20 0.33
DGAT1 O75907 1/20 0.33
SLC7A5 Q01650 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
PMP22 Q01453 1/20 0.31
NLRP3 Q96P20 1/20 0.31

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
SCHEMBL6565617 1.00 NOS1 (0.46) NOS1NOS3NOS2CA12CA14
SCHEMBL28062530 0.87 NOS1 (0.46) NOS1NOS3NOS2CA12CA14
SCHEMBL919727 0.86 NOS1 (0.46) NOS1NOS3NOS2CA12CA14
SCHEMBL311871 0.86 NOS1 (0.46) NOS1NOS3NOS2CA12CA14
SCHEMBL320155 0.86 NOS1 (0.46) NOS1NOS3NOS2CA12CA14
Hydrochloric Acid SCHEMBL8848963 0.85 NOS1 (0.45) NOS1NOS3NOS2CA12CA14
Hydrochloric Acid SCHEMBL919725 0.84 NOS1 (0.45) NOS1NOS3NOS2CA12CA14
Hydrochloric Acid SCHEMBL146832 0.84 NOS1 (0.45) NOS1NOS3NOS2CA12CA14
SCHEMBL19858386 0.84 NOS1 (0.45) NOS1NOS3NOS2CA12CA14
SCHEMBL304099 0.84 NOS1 (0.45) NOS1NOS3NOS2CA12CA14

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
WO-2025235389-A1 P53 MODULATORS NESTED THERAPEUTICS, INC. (US) 2025-11-13 WO disclosed
WO-2024215802-A1 BENZOFURANYL AND BENZOTHIENYL COMPOUNDS AS P53 MODULATORS NESTED THERAPEUTICS, INC. (US) 2024-10-17 WO disclosed