SCHEMBL7411665

SCHEMBL7411665

CN(C)C=Cc1ccc(CC(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.47
BACE1 P56817 4/20 0.43
ALDH1A1 P00352 5/20 0.40
MAPT P10636 4/20 0.40
CYP1A2 P05177 1/20 0.40
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
PTGS1 P23219 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
STAT3 P40763 1/20 0.37
HCAR3 P49019 1/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
RGS12 O14924 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
SCHEMBL7411663 1.00 PTGS2 (0.47) PTGS2BACE1ALDH1A1MAPTCYP1A2
SCHEMBL7414440 0.90 BACE1 (0.44) PTGS2BACE1ALDH1A1MAPTCYP1A2
SCHEMBL7414442 0.90 BACE1 (0.44) PTGS2BACE1ALDH1A1MAPTCYP1A2
SCHEMBL16011445 0.80 CYP1A2 (0.45) ALDH1A1MAPTCYP1A2KMT2AMEN1
SCHEMBL192101 0.80 HCAR3 (0.58) PTGS2ALDH1A1MAPTHCAR3LMNA
SCHEMBL3091095 0.80 HCAR3 (0.58) PTGS2ALDH1A1MAPTHCAR3LMNA
SCHEMBL544067 0.76 ALDH1A1 (0.48) PTGS2BACE1ALDH1A1MAPTKMT2A
SCHEMBL544066 0.76 ALDH1A1 (0.48) PTGS2BACE1ALDH1A1MAPTKMT2A
SCHEMBL11264895 0.76 TSHR (0.53) PTGS2BACE1ALDH1A1MAPTKMT2A
SCHEMBL11264900 0.76 TSHR (0.53) PTGS2BACE1ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5380739-A Angiotensin II antagonists SYNTEX (U.S.A.) INC. (US) 1995-01-10 US disclosed
US-5212195-A Substituted indole antagonists derivatives which are angiotensin II SYNTEX (U.S.A.) INC. (US) 1993-05-18 US disclosed