SCHEMBL7445267

SCHEMBL7445267

C[C@@H](C(=O)O)N(C(=O)CCc1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.55
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
ALOX5 P09917 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KEAP1 Q14145 1/20 0.46
HPGD P15428 1/20 0.44
FFAR1 O14842 1/20 0.43
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM3 P20309 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
SCHEMBL7444472 0.87 LMNA (0.47) MLYCDKMT2AMEN1HTTLMNA
SCHEMBL9555055 0.84 ALDH1A1 (0.50) KMT2AMEN1ALOX5HTTALDH1A1
SCHEMBL11272120 0.83 ALDH1A1 (0.49) MLYCDKMT2AMEN1HTTALDH1A1
SCHEMBL11110495 0.83 ALOX5 (0.51) MLYCDKMT2AMEN1ALOX5L3MBTL1
SCHEMBL7451529 0.82 KMT2A (0.48) MLYCDKMT2AMEN1ALOX5L3MBTL1
SCHEMBL8922653 0.82 ALDH1A1 (0.54) MLYCDKMT2AMEN1HTTALDH1A1
SCHEMBL7445227 0.81 AKR1C3 (0.47) MLYCDKMT2AMEN1ALOX5L3MBTL1
SCHEMBL20421705 0.80 ALDH1A1 (0.53) MLYCDKMT2AMEN1HTTALDH1A1
SCHEMBL7447573 0.80 SMN1; SMN2 (0.50) MLYCDL3MBTL1ALDH1A1LMNATP53
SCHEMBL7451978 0.80 TRPM8 (0.56) MLYCDALDH1A1SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0817795-B1 NOVEL 4-SUBSTITUTED-3-PEPTIDYL-AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE INHIBITOR NAEJA PHARMACEUTICAL INC (CA) 2000-11-15 EP disclosed
US-5986108-A ENZYME INHIBITORS SYNPHAR LABORATORIES, INC. (CA) 1999-11-16 US disclosed
EP-0817795-A1 NOVEL 4-SUBSTITUTED-3-PEPTIDYL-AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE INHIBITOR SYNPHAR LABORATORIES INC. (CA) 1998-01-14 EP disclosed
WO-1996032408-A1 NOVEL 4-SUBSTITUTED-3-PEPTIDYL-AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE INHIBITOR SYNPHAR LABORATORIES, INC. (US) 1996-10-17 WO disclosed