SCHEMBL7360703

SCHEMBL7360703

CC(=O)NC(=Cc1cccs1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.49
MAPT P10636 3/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HCAR2 Q8TDS4 1/20 0.49
KLK7 P49862 1/20 0.46
KLK5 Q9Y337 1/20 0.46
ALDH1A1 P00352 5/20 0.44
GCK P35557 1/20 0.44
KMT2A Q03164 4/20 0.43
RAB9A P51151 4/20 0.43
MEN1 O00255 3/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
HTT P42858 2/20 0.42
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 2/20 0.42
PSMD14 O00487 1/20 0.42
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL7360699 1.00 LMNA (0.49) LMNAMAPTNPSR1HCAR2KLK7
SCHEMBL22500165 0.79 ALDH1A1 (0.51) LMNAMAPTNPSR1ALDH1A1KMT2A
SCHEMBL22500167 0.79 ALDH1A1 (0.51) LMNAMAPTNPSR1ALDH1A1KMT2A
SCHEMBL22505223 0.78 MAPT (0.56) LMNAMAPTNPSR1ALDH1A1KMT2A
SCHEMBL28688374 0.78 MAPT (0.56) LMNAMAPTNPSR1ALDH1A1KMT2A
SCHEMBL8182843 0.78 AKR1C3 (0.52) LMNAMAPTNPSR1HCAR2ALDH1A1
SCHEMBL1930557 0.78 AKR1C3 (0.52) LMNAMAPTNPSR1HCAR2ALDH1A1
SCHEMBL28678389 0.77 MAPT (0.51) LMNAMAPTALDH1A1KMT2ARAB9A
SCHEMBL24534706 0.75 ALDH1A1 (0.53) LMNAMAPTKLK7KLK5ALDH1A1
SCHEMBL28677401 0.75 ALDH1A1 (0.53) LMNAMAPTKLK7KLK5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0746320-B1 HIV PROTEASE INHIBITORS AND INTERMEDIATES LILLY CO ELI (US) 2001-01-31 EP disclosed
EP-0746320-A4 HIV PROTEASE INHIBITORS AND INTERMEDIATES LILLY CO ELI (US) 1997-06-11 EP disclosed
EP-0744948-A4 PROTEASE INHIBITORS LILLY CO ELI (US) 1997-06-11 EP disclosed
US-5624934-A PREVENTING HIV INFECTION ELI LILLY AND COMPANY (US) 1997-04-29 US disclosed
EP-0746320-A1 HIV PROTEASE INHIBITORS AND INTERMEDIATES ELI LILLY AND COMPANY (US) 1996-12-11 EP disclosed
EP-0744948-A1 PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 1996-12-04 EP disclosed
US-5480887-A FOR HIV, THIENO(3,2-C)PYRIDINE-(6S)-CARBOXAMIDES ELI LILLY AND COMPANY (US) 1996-01-02 US disclosed
WO-1995020962-A1 PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 1995-08-10 WO disclosed
WO-1995020965-A1 HIV PROTEASE INHIBITORS AND INTERMEDIATES ELI LILLY AND COMPANY (US) 1995-08-10 WO disclosed