SCHEMBL22491297

SCHEMBL22491297

CCCC(CNC(Cc1cncn1Cc1ccc(C(F)(F)F)cc1)C(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 4/20 0.46
ACE P12821 3/20 0.46
PPARA Q07869 3/20 0.40
PPARD Q03181 2/20 0.40
PPARG P37231 3/20 0.40
CYP11B1 P15538 10/20 0.38
CYP11B2 P19099 10/20 0.38
EPHX2 P34913 2/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38

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
SCHEMBL22491303 0.84 ACE2 (0.47) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL22491298 0.83 ACE2 (0.52) ACE2ACEPPARAPPARDPPARG
SCHEMBL1659753 0.81 ACE2 (0.70) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL8249097 0.81 ACE2 (0.70) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL22491299 0.80 ACE2 (0.45) ACE2ACEPPARAPPARGCYP11B1
SCHEMBL22491314 0.77 ACE2 (0.38) ACE2ACEFNTAFNTB
SCHEMBL7229610 0.76 CD274 (0.39) ACE2ACEFNTAFNTB
SCHEMBL1661114 0.74 ACE2 (0.44) ACE2ACECYP11B1CYP11B2
SCHEMBL6834243 0.73 ACE2 (0.57) ACE2ACECYP11B1CYP11B2FNTA
SCHEMBL1690948 0.72 ACE2 (0.71) ACE2ACECYP11B1CYP11B2FNTA

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