SCHEMBL7407368

SCHEMBL7407368

CCCCC(=O)Cc1cc(CC(=O)O)ccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CYP1A2 P05177 1/20 0.42
TDP1 Q9NUW8 1/20 0.39
HCAR3 P49019 2/20 0.38
IAPP P10997 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
GSTP1 P09211 1/20 0.37
GSTM2 P28161 1/20 0.37
PLA2G4B P0C869 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL7418264 0.83 CYP1A2 (0.57) ALDH1A1HPGDHSD17B10CYP1A2TDP1
SCHEMBL1865824 0.74 CASP6 (0.55) ALDH1A1HPGDHSD17B10CYP1A2TDP1
SCHEMBL7410546 0.74 TDP1 (0.45) ALDH1A1HPGDCYP1A2TDP1HCAR3
SCHEMBL14777639 0.73 TSHR (0.58) ALDH1A1HPGDHSD17B10CYP1A2TDP1
SCHEMBL1829346 0.73 TSHR (0.58) ALDH1A1HPGDHSD17B10CYP1A2TDP1
SCHEMBL21061856 0.73 CYP1A2 (0.49) ALDH1A1CYP1A2GSTP1GSTM2KDM4E
SCHEMBL6379699 0.71 GAA (0.59) ALDH1A1HPGDHSD17B10CYP1A2TDP1
SCHEMBL15272523 0.71 CYP1A2 (0.71) ALDH1A1HPGDHSD17B10CYP1A2TDP1
SCHEMBL1857263 0.71 CA2 (0.59) ALDH1A1HPGDHSD17B10CYP1A2TDP1
SCHEMBL2434953 0.71 GAA (0.59) ALDH1A1HPGDHSD17B10CYP1A2TDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0640080-A1 SUBSTITUTED INDOLES AND AZAINDOLES AS ANGIOTENSIN II ANTAGONISTS. SYNTEX INC (US) 1995-03-01 EP disclosed
US-5380739-A Angiotensin II antagonists SYNTEX (U.S.A.) INC. (US) 1995-01-10 US disclosed
WO-1993023391-A1 SUBSTITUTED INDOLES AND AZAINDOLES AS ANGIOTENSIN II ANTAGONISTS SYNTEX (U.S.A.) INC. (US) 1993-11-25 WO disclosed
US-5212195-A Substituted indole antagonists derivatives which are angiotensin II SYNTEX (U.S.A.) INC. (US) 1993-05-18 US disclosed