SCHEMBL8417757

SCHEMBL8417757

C=CCC(CC)(Oc1ccc(Br)cc1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.40
PPARD Q03181 3/20 0.40
ADORA3 P0DMS8 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
PPARG P37231 3/20 0.36
LSS P48449 3/20 0.36
HTT P42858 1/20 0.35
MMP1 P03956 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
LDHA P00338 1/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
MAOB P27338 1/20 0.35
LMNA P02545 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL10903534 0.87 ALDH1A1 (0.46) PPARAPPARDADORA3ALDH1A1TSHR
SCHEMBL1434444 0.76 KMT2A (0.45) PPARAPPARDPPARGFFAR1FFAR4
SCHEMBL8605223 0.76 ITGB3 (0.47) PPARAPPARDALDH1A1CYP1A2
SCHEMBL23754112 0.71 PPARG (0.45) PPARAPPARDADORA3PPARGNPSR1
SCHEMBL11540230 0.71 ALDH1A1 (0.44) PPARAADORA3ALDH1A1PPARGLMNA
SCHEMBL27571634 0.70 GAA (0.44) PPARAPPARDADORA3PPARGMEN1
SCHEMBL6754623 0.70 PPARA (0.40) PPARAPPARDADORA3ALDH1A1PPARG
SCHEMBL10903315 0.70 ALDH1A1 (0.34) ALDH1A1TSHRHTT
SCHEMBL11763480 0.70 PPARG (0.44) PPARAPPARDADORA3PPARGNPSR1
SCHEMBL2554944 0.69 MAPT (0.50) PPARAADORA3ALDH1A1PPARGHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5919793-A QUINUCLIDINE DERIVATIVES, SQUALENE SYNTHETASE INHIBITORS, ANTICHOLESTEROL AGENTS ZENECA LIMITED (GB) 1999-07-06 US disclosed
EP-0696284-A1 HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1996-02-14 EP disclosed
WO-1994025459-A1 HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1994-11-10 WO disclosed