SCHEMBL7328963

SCHEMBL7328963

CC(C)(C)OC(=O)N(NC(=O)OCc1ccccc1)N(Cc1cccc(Cl)c1)C[C@@H](O)CCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.44
LMNA P02545 2/20 0.40
SLC1A5 Q15758 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CTSL P07711 1/20 0.39
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
ALOX12 P18054 1/20 0.38
PTPN7 P35236 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.38
RECQL P46063 1/20 0.38
SYK P43405 1/20 0.38
AKT1 P31749 1/20 0.37
METAP2 P50579 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36

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
SCHEMBL7366418 0.91 BACE1 (0.44) BACE1LMNASLC1A5SMN1; SMN2MEN1
SCHEMBL7328253 0.90 BACE1 (0.47) BACE1LMNASLC1A5SMN1; SMN2CTSL
SCHEMBL7332905 0.88 LMNA (0.46) BACE1LMNASLC1A5SMN1; SMN2CTSL
SCHEMBL8333233 0.86 BACE1 (0.44) BACE1LMNASLC1A5SMN1; SMN2SYK
SCHEMBL8334059 0.86 BACE1 (0.41) BACE1LMNASMN1; SMN2CTSLMAPT
SCHEMBL7331893 0.86 BACE1 (0.44) BACE1LMNASMN1; SMN2CTSLMAPT
SCHEMBL8333205 0.85 SMN1; SMN2 (0.44) BACE1LMNASMN1; SMN2CTSLMAPT
SCHEMBL7327200 0.85 BACE1 (0.41) BACE1LMNASLC1A5SMN1; SMN2CTSL
SCHEMBL8331022 0.84 BACE1 (0.43) BACE1LMNASMN1; SMN2CTSLMAPT
SCHEMBL8469355 0.84 CYP3A4 (0.45) BACE1SLC1A5SMN1; SMN2CTSLMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5990135-A FOR TREATING A RETROVIRAL INFECTION SUCH AS HIV INFECTION; FOR EXAMPLE 5S-N-((2-PYRIDINYL)METHOXYCARBONYL)VALINYLAMINO-2-((N-3 -PYRIDINYL)METHOXYCARBONYL)AMINO-4S-HYDROXY-1,6-DIPHENYL-2-AZAHEXANE AND OTHER COMPOUNDS OF GIVEN FORMULA ABBOTT LABORATORIES (US) 1999-11-23 US disclosed
US-5631376-A PEPTIDE DERIVATIVES FOR TREATMENT OF AIDS ABBOTT LABORATORIES (US) 1997-05-20 US disclosed
US-5621109-A OXAZOLE/THIAZOLE DERIVATIVES OF HYDROXYMETHYL HYDRAZONES; SIDE EFFECT REDUCTION ABBOTT LABORATORIES (US) 1997-04-15 US disclosed
US-5461067-A For HIV infections ABBOTT LABORATORIES (US) 1995-10-24 US disclosed
WO-1994019332-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1994-09-01 WO disclosed