SCHEMBL7040474

SCHEMBL7040474

CCOC(Cc1ccc(OCCN2CCCc3ccccc32)cc1)C(N)=O

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 18/20 0.63
PPARA Q07869 15/20 0.52
PPARD Q03181 3/20 0.48
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL7035857 0.91 PPARG (0.75) PPARGPPARAPPARD
SCHEMBL7106185 0.91 PPARG (0.63) PPARGPPARAPPARDALDH1A1POLB
SCHEMBL7111403 0.90 PPARG (0.52) PPARGPPARAPPARDALDH1A1POLB
SCHEMBL7107208 0.90 PPARG (0.62) PPARGPPARAPPARDALDH1A1POLB
SCHEMBL7109727 0.84 PPARG (0.55) PPARGPPARAPPARDALDH1A1POLB
SCHEMBL7110525 0.84 PPARG (0.57) PPARGPPARAPPARDALDH1A1POLB
SCHEMBL7035980 0.83 PPARG (0.61) PPARGPPARAPPARDALDH1A1POLB
SCHEMBL7105664 0.83 PPARG (0.52) PPARGPPARAALDH1A1POLBMAPT
SCHEMBL5108315 0.82 LMNA (0.53) PPARGPPARAPPARDMAPT
SCHEMBL5107710 0.82 PPARG (0.58) PPARGPPARAPPARDMAPT

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
WO-2003006022-A1 TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LTD. (IN) 2003-01-23 WO claimed
WO-2003006022-A1 TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LTD. (IN) 2003-01-23 WO disclosed