SCHEMBL18619736

SCHEMBL18619736

CCCC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 1/20 0.56
▸ ACE P12821 1/20 0.56
▸ CA2 P00918 5/20 0.55
▸ CA1 P00915 3/20 0.55
▸ ITGB3 P05106 4/20 0.55
▸ ITGA2B P08514 4/20 0.55
▸ FOLH1 Q04609 3/20 0.53
▸ KDM6B O15054 1/20 0.53
▸ LCK P06239 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ USP2 O75604 1/20 0.51
▸ EGFR P00533 1/20 0.51
▸ FYN P06241 1/20 0.51
▸ ADORA3 P0DMS8 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ PTGS1 P23219 1/20 0.51
▸ HTR2A P28223 1/20 0.51
▸ PTGS2 P35354 1/20 0.51
▸ RECQL P46063 1/20 0.51
▸ SLC7A5 Q01650 1/20 0.51

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
SCHEMBL10099834 0.92 ALDH1A1 (0.55) MMEACECA2CA1ITGB3
SCHEMBL24090396 0.89 TRPV1 (0.62) MMEACECA2CA1ITGB3
SCHEMBL8257309 0.89 TRPV1 (0.62) MMEACECA2CA1ITGB3
SCHEMBL4179516 0.88 MME (0.58) MMEACECA2CA1FOLH1
SCHEMBL4179518 0.88 MME (0.58) MMEACECA2CA1FOLH1
SCHEMBL11277926 0.86 CA2 (0.55) MMEACECA2CA1FOLH1
SCHEMBL2339741 0.86 CA1 (0.58) MMEACECA2CA1ITGB3
SCHEMBL2339748 0.86 CA1 (0.58) MMEACECA2CA1ITGB3
SCHEMBL4582086 0.85 CHRND (0.60) MMEACEITGB3ITGA2BFOLH1
SCHEMBL4582092 0.85 CHRND (0.60) MMEACEITGB3ITGA2BFOLH1

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
WO-2017037661-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PARKINSON'S DISEASE CELLIXBIO PRIVATE LIMITED (IN) 2017-03-09 — — WO disclosed
Send feedback