SCHEMBL7561576

SCHEMBL7561576

CN[C@@H](CC(C)CO)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.41
NAALAD2 Q9Y3Q0 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MME P08473 5/20 0.41
TGFBR1 P36897 3/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 2/20 0.36
TRPA1 O75762 2/20 0.35
ACE P12821 1/20 0.34
KDM4E B2RXH2 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
NFKB1 P19838 1/20 0.33
PTGS2 P35354 1/20 0.33
THPO P40225 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL7394607 0.84 FOLH1 (0.42) FOLH1NAALAD2ALDH1A1MMEMEN1
SCHEMBL24966082 0.84 FOLH1 (0.42) FOLH1NAALAD2ALDH1A1MMEMEN1
SCHEMBL7394606 0.84 FOLH1 (0.42) FOLH1NAALAD2ALDH1A1MMEMEN1
SCHEMBL28251227 0.81 FOLH1 (0.39) FOLH1NAALAD2ALDH1A1MMEMEN1
Hydrochloric Acid SCHEMBL19949047 0.81 ALDH1A1 (0.48) FOLH1NAALAD2ALDH1A1MMEMEN1
SCHEMBL93453 0.79 ALDH1A1 (0.61) FOLH1NAALAD2ALDH1A1MMEMEN1
SCHEMBL93452 0.79 ALDH1A1 (0.61) FOLH1NAALAD2ALDH1A1MMEMEN1
SCHEMBL93451 0.79 ALDH1A1 (0.61) FOLH1NAALAD2ALDH1A1MMEMEN1
SCHEMBL181375 0.79
SCHEMBL163350 0.79

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-0744955-B1 CYCLIC HEPTAPEPTIDE ANTI-INFLAMMATORY AGENT UNIV CALIFORNIA (US) 2002-07-31 EP disclosed
EP-0932412-A1 ANTIVIRAL TREATMENT PHYTERA, INC. (US) 1999-08-04 EP disclosed
EP-0744955-A4 CYCLIC HEPTAPEPTIDE ANTI-INFLAMMATORY AGENT UNIV CALIFORNIA (US) 1998-12-16 EP disclosed
US-5759995-A ADMINISTERING CYCLOMARIN A TO TREAT HERPES VIRUS INFECTIONS PHYTERA, INC. (US) 1998-06-02 US disclosed
WO-1998009640-A1 ANTIVIRAL TREATMENT PHYTERA, INC. (US) 1998-03-12 WO disclosed
US-5593960-A PRODUCING CYCLOMARIN A FROM FERMENTATION OF STREPTOMYCES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1997-01-14 US disclosed
EP-0744955-A1 CYCLIC HEPTAPEPTIDE ANTI-INFLAMMATORY AGENT THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1996-12-04 EP disclosed
WO-1995022339-A1 CYCLIC HEPTAPEPTIDE ANTI-INFLAMMATORY AGENT THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1995-08-24 WO disclosed
US-5444043-A Cyclic depsipeptide non-steroidal antiinflammatory agent THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1995-08-22 US disclosed