SCHEMBL7447573

SCHEMBL7447573

C[C@@H](C(=O)O)N(C(=O)CCc1ccccc1)c1ccc2c(c1)OCCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.50
NPC1 O15118 7/20 0.50
RAB9A P51151 7/20 0.50
ALDH1A1 P00352 6/20 0.48
HPGD P15428 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
KLF5 Q13887 2/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 2/20 0.48
TP53 P04637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
TRPM8 Q7Z2W7 1/20 0.47
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
TSHR P16473 5/20 0.45

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
SCHEMBL7451978 0.93 TRPM8 (0.56) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL7442634 0.86 NPC1 (0.43) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL7445267 0.80 MLYCD (0.55) SMN1; SMN2ALDH1A1HPGDLMNATP53
SCHEMBL7451529 0.77 KMT2A (0.48) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL7445227 0.76 AKR1C3 (0.47) ALDH1A1L3MBTL1MLYCDKDM4E
SCHEMBL29679451 0.75 TRPM8 (0.62) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL21742226 0.72 PTGDR2 (0.56) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL20463355 0.72 ALDH1A1 (0.52) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL10653725 0.71 TRPM8 (0.45) NPC1RAB9AALDH1A1TDP1LMNA
SCHEMBL4543377 0.70 PTGS1 (0.48) NPC1RAB9AALDH1A1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0950046-B1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS NAEJA PHARMACEUTICAL INC (CA) 2002-04-10 EP claimed
EP-0950046-A1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS SYNPHAR LABORATORIES INC. (CA) 1999-10-20 EP claimed
US-5959123-A REACATING SUBSTITUTED AMINO ACID WITH 3-AMINO-4-SUBSTITUTED-AZETIDINE-2-ONE COMPOUND TO FORM 3, 4-DISUBSTITUTED-AZETIDINE-2-ONE COMPOUND; USEFUL FOR TREATING MUSCULAR DYSTROPHY, ARTHRITIS, VIRAL AND PARASITIC INFECTIONS SYNPHAR LABORATORIES, INC. (CA) 1999-09-28 US claimed
WO-1998012176-A1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS SYNPHAR LABORATORIES INC. (US) 1998-03-26 WO claimed
EP-0950046-B1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS NAEJA PHARMACEUTICAL INC (CA) 2002-04-10 EP disclosed
EP-0950046-A1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS SYNPHAR LABORATORIES INC. (CA) 1999-10-20 EP disclosed
US-5959123-A REACATING SUBSTITUTED AMINO ACID WITH 3-AMINO-4-SUBSTITUTED-AZETIDINE-2-ONE COMPOUND TO FORM 3, 4-DISUBSTITUTED-AZETIDINE-2-ONE COMPOUND; USEFUL FOR TREATING MUSCULAR DYSTROPHY, ARTHRITIS, VIRAL AND PARASITIC INFECTIONS SYNPHAR LABORATORIES, INC. (CA) 1999-09-28 US disclosed
WO-1998012176-A1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS SYNPHAR LABORATORIES INC. (US) 1998-03-26 WO disclosed