SCHEMBL22491298

SCHEMBL22491298

CCCCC(NC(Cc1cncn1Cc1ccc(C(F)(F)F)cc1)C(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 4/20 0.52
ACE P12821 3/20 0.52
FNTA P49354 3/20 0.40
FNTB P49356 2/20 0.40
CYP11B1 P15538 7/20 0.39
CYP11B2 P19099 7/20 0.39
PPARG P37231 3/20 0.38
PPARA Q07869 2/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
PGGT1B P53609 1/20 0.38
PPARD Q03181 1/20 0.38
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37
KCNQ4 P56696 1/20 0.37
KCNQ5 Q9NR82 1/20 0.37
PTGES O14684 1/20 0.37
ALOX5 P09917 1/20 0.37

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
SCHEMBL8249070 0.88 ACE (0.58) ACE2ACEFNTAFNTBCYP11B1
SCHEMBL5869812 0.88 ACE (0.58) ACE2ACEFNTAFNTBCYP11B1
SCHEMBL1659753 0.86 ACE2 (0.70) ACE2ACEFNTACYP11B1CYP11B2
SCHEMBL8249097 0.86 ACE2 (0.70) ACE2ACEFNTACYP11B1CYP11B2
SCHEMBL22491305 0.83 ACE2 (0.53) ACE2ACEFNTAFNTBCYP11B1
SCHEMBL22491297 0.83 ACE2 (0.46) ACE2ACEFNTAFNTBCYP11B1
SCHEMBL22491299 0.82 ACE2 (0.45) ACE2ACEFNTAFNTBCYP11B1
SCHEMBL6834243 0.81 ACE2 (0.57) ACE2ACEFNTAFNTBCYP11B1
SCHEMBL8249140 0.78 ACE2 (0.70) ACE2ACEFNTAFNTBCYP11B1
SCHEMBL1660431 0.78 ACE2 (0.70) ACE2ACEFNTAFNTBCYP11B1

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