SCHEMBL29489970

SCHEMBL29489970

CC(C)C[C@H](N)C(=O)N[C@@H](CS)C(=O)N(C)CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 1/20 0.39
▸ SLC7A5 Q01650 1/20 0.38
▸ LARS1 Q9P2J5 2/20 0.35
▸ MME P08473 4/20 0.34
▸ PTGS1 P23219 1/20 0.33
▸ GSTK1 Q9Y2Q3 1/20 0.33
▸ FCER2 P06734 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
SCHEMBL21828595 0.79 ACE (0.61) ACESLC7A5MME
SCHEMBL21828594 0.79 ACE (0.61) ACESLC7A5MME
SCHEMBL11459948 0.77 SLC7A5 (0.52) SLC7A5LARS1
SCHEMBL11459947 0.77 SLC7A5 (0.52) SLC7A5LARS1
SCHEMBL14671217 0.76 KDM4E (0.56) ACE
SCHEMBL30534373 0.76 KDM4E (0.56) ACE
SCHEMBL2840621 0.76 FCER2 (0.44) ACESLC7A5LARS1MMEFCER2
SCHEMBL30288000 0.76 ACE (0.56) ACESLC7A5MME
SCHEMBL31720932 0.76 ACE (0.51) ACESLC7A5MME
SCHEMBL30311049 0.76 ACE (0.56) ACESLC7A5MME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107428804-B Immunomodulator 百时美施贵宝公司 2022-06-28 — — CN disclosed
EP-3271373-B1 IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-03-16 — — EP disclosed
Send feedback