SCHEMBL21376456

SCHEMBL21376456

CCC(CC)C(=O)N[C@@H](CNC(=O)NCc1ccc(O)cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 7/20 0.47
▸ MME P08473 4/20 0.47
▸ CPA1 P15085 1/20 0.47
▸ ACE2 Q9BYF1 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ CA14 Q9ULX7 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ FOLH1 Q04609 1/20 0.42
▸ NPY1R P25929 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ITGB1 P05556 1/20 0.40
▸ ITGA2 P17301 1/20 0.40

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
SCHEMBL21358724 0.90 POLB (0.54) ALDH1A1POLBPPARGSMN1; SMN2ITGB1
SCHEMBL21358725 0.90 POLB (0.54) ALDH1A1POLBPPARGSMN1; SMN2ITGB1
SCHEMBL21376455 0.89 PPID (0.47) ALDH1A1LMNACA1CA2CA7
SCHEMBL21376443 0.87 PPARG (0.54) ACEALDH1A1POLBPPARGSMN1; SMN2
SCHEMBL21376446 0.80 OPRM1 (0.52) ALDH1A1LMNAPOLBFOLH1
SCHEMBL21376447 0.77 ALDH1A1 (0.64) ALDH1A1FOLH1SMN1; SMN2
SCHEMBL21376631 0.76 ITGB1 (0.50) ALDH1A1LMNAITGB1ITGA2
SCHEMBL21376627 0.74 ITGA4 (0.56) ALDH1A1LMNAITGB1
SCHEMBL24575913 0.72 MEN1 (0.65) ALDH1A1CA2SMN1; SMN2
SCHEMBL11570507 0.71 NAALAD2 (0.66) ACEMMECPA1ACE2FOLH1

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-2019178248-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-09-19 — — WO disclosed
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