SCHEMBL28869688

SCHEMBL28869688

C=CCc1nnc(C(=O)O)o1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.36
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
POLB P06746 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
SCHEMBL27612858 0.86 POLB (0.31) POLB
Potassium Ion SCHEMBL28278916 0.81 KDM4E (0.30)
SCHEMBL17040253 0.71 PTPN1 (0.50) PTPN1NPC1RAB9A
SCHEMBL8840235 0.69 NPSR1 (0.36) PTPN1POLB
Hydrochloric Acid SCHEMBL11596232 0.69 PTPN1 (0.48) PTPN1NPC1RAB9A
SCHEMBL9394258 0.67 ALDH1A1 (0.38)
SCHEMBL367218 0.67
Lithium SCHEMBL30440723 0.66 RAB9A (0.53) PTPN1NPC1RAB9APOLB
SCHEMBL29012435 0.66 RAB9A (0.53) PTPN1NPC1RAB9APOLB
SCHEMBL29224190 0.66 PTPN1 (0.33) PTPN1

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-104974106-B 5- alkyl-[1,3,4]-oxadiazoles -2- alkyl formate synthetic method 浙江普洛康裕制药有限公司 2019-02-22 CN disclosed