SCHEMBL7515528

SCHEMBL7515528

O=CN(OCc1ccccc1)[C@@H](CCCO)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.38
SLC1A2 P43004 2/20 0.38
SLC1A1 P43005 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
FOLH1 Q04609 4/20 0.38
LTA4H P09960 1/20 0.35
EPHX2 P34913 1/20 0.35
PPARG P37231 3/20 0.35
PPARA Q07869 3/20 0.35
CCR6 P51684 1/20 0.35
PAX8 Q06710 1/20 0.35
NPC1 O15118 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL8910551 0.88 PTGES (0.42) PPARG
SCHEMBL6955548 0.85 FOLH1 (0.46) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL10686536 0.83 CYP1A2 (0.43) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL16166282 0.82 SLC1A3 (0.41) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL7420915 0.82 SLC1A1 (0.44) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL57730 0.82 FOLH1 (0.39) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL56607 0.81 FOLH1 (0.38) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL6299671 0.81 ALDH1A1 (0.43) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL6298147 0.81 ALDH1A1 (0.43) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL7100804 0.80 HPGD (0.40) MEN1CYP2C9CYP2C19KMT2AFOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641800-B1 Lactol derivatives as inhibitors of cathepsin L TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-01-16 EP disclosed
US-5496834-A PEPTIDE DERIVATIVES AS CATHEPSIN L INHIBITORS AND INHIBITORS OF BONE RESORPTION OR TREATMENT OF OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-03-05 US disclosed
EP-0641800-A1 Lactol derivatives as inhibiters of cathepsin L Takeda Chemical Industries, Ltd. (JP) 1995-03-08 EP disclosed