SCHEMBL22491316

SCHEMBL22491316

CCCCC(NC(Cc1cncn1C)C(=O)O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACE P12821 7/20 0.43
ACE2 Q9BYF1 5/20 0.43
CPB2 Q96IY4 2/20 0.36
CA2 P00918 1/20 0.35
CAPN1 P07384 1/20 0.34
MME P08473 3/20 0.34
CPA1 P15085 1/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34

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
SCHEMBL5869631 0.82 ACE2 (0.61) ACEACE2MME
SCHEMBL8254628 0.82 ACE2 (0.61) ACEACE2MME
SCHEMBL5869812 0.80 ACE (0.58) ACEACE2MMEFNTAFNTB
SCHEMBL8249070 0.80 ACE (0.58) ACEACE2MMEFNTAFNTB
SCHEMBL13046895 0.79 ACE2 (0.41) ACEACE2CPB2CAPN1FNTA
SCHEMBL4686868 0.78 ITGB3 (0.43) ACEACE2
SCHEMBL20839555 0.78 ACE2 (0.40) ACEACE2CAPN1FNTAFNTB
SCHEMBL22491314 0.78 ACE2 (0.38) ACEACE2CPB2CAPN1FNTA
SCHEMBL8824843 0.77 KDM4E (0.41) ACEACE2CAPN1FNTAFNTB
SCHEMBL8824831 0.77 KDM4E (0.41) ACEACE2CAPN1FNTAFNTB

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
EP-3717077-A1 METHODS FOR MODULATING PIGMENTATION BY ANGIOTENSIN-CONVERTING ENZYME 2 MODULATION Max-Delbrück-Centrum für Molekulare Medizin in der Helmholtz-Gemeinschaft (DE) 2020-10-07 EP disclosed