SCHEMBL7445245

SCHEMBL7445245

C[C@@H](C(=O)O)N(C(=O)N1CCOCC1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
KMT2A Q03164 3/20 0.57
TSHR P16473 2/20 0.47
PHGDH O43175 1/20 0.47
HPGD P15428 1/20 0.47
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GAA P10253 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
CYP2C19 P33261 3/20 0.44
CYP2C9 P11712 2/20 0.44
AKR1C3 P42330 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL6800724 0.87 SMN1; SMN2 (0.46) ALDH1A1KMT2APHGDHSMN1; SMN2MEN1
SCHEMBL6800181 0.86 ALDH1A1 (0.50) ALDH1A1KMT2ATSHRPHGDHHPGD
SCHEMBL6795518 0.83 MAPT (0.57) ALDH1A1KMT2APHGDHMAPK1SMN1; SMN2
SCHEMBL6801153 0.82 ALDH1A1 (0.49) ALDH1A1KMT2ATSHRPHGDHHPGD
SCHEMBL7297001 0.81 ALDH1A1 (0.53) ALDH1A1KMT2ASMN1; SMN2HSD17B10LMNA
SCHEMBL6799660 0.80 ALDH1A1 (0.47) ALDH1A1KMT2ATSHRPHGDHHPGD
SCHEMBL31479993 0.80 ALDH1A1 (0.51) ALDH1A1KMT2ATSHRHPGDPOLB
SCHEMBL7445085 0.79 ALDH1A1 (0.56) ALDH1A1KMT2AGAALMNACYP2C19
SCHEMBL6805654 0.76 KMT2A (0.60) ALDH1A1KMT2APOLBMAPK1MEN1
SCHEMBL11249889 0.76 LMNA (0.49) ALDH1A1KMT2ATSHRHPGDSMN1; SMN2

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