SCHEMBL8449644

SCHEMBL8449644

CC(CSC(=O)c1ccccc1)C(=O)N[C@@H](CCCCOCc1ccc(N(C)C)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE P12821 5/20 0.46
MMP3 P08254 5/20 0.40
MMP1 P03956 4/20 0.40
MMP8 P22894 4/20 0.40
MMP9 P14780 3/20 0.40
PPARG P37231 2/20 0.38
PPARA Q07869 1/20 0.38
MME P08473 1/20 0.38
FOLH1 Q04609 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.35

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
SCHEMBL8450544 0.94 ACE (0.48) ACEPPARGPPARAMMEFOLH1
SCHEMBL8451005 0.90 ACE (0.49) ACEMMP9PPARGPPARAMME
SCHEMBL8451692 0.85 ACE (0.56) ACE
SCHEMBL8450411 0.83 PPARA (0.41) ACEMMP3MMP1MMP8MMP9
SCHEMBL6576249 0.82 MME (0.45) ACEMMP9PPARGPPARAMME
SCHEMBL6576254 0.82 MME (0.45) ACEMMP9PPARGPPARAMME
SCHEMBL8452662 0.81 ACE (0.58) ACE
SCHEMBL8451271 0.81 ACE (0.51) ACEMMP9PPARGPPARAMME
SCHEMBL6574206 0.80 ACE (0.70) ACE
SCHEMBL6575444 0.80 ACE (0.70) ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5872281-A COMPOUNDS FOR TREATMENT OF RHEUMATIC DISEASES, PSORIASIS, INTESTINAL INFLAMATION SANTEN PHARMACEUTICAL CO., LTD. (JP) 1999-02-16 US disclosed