SCHEMBL9700345

SCHEMBL9700345

CCCCCCCCC1=CCC[C@@H]1CC=CCCC(=N)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 2/20 0.39
ALDH1A1 P00352 5/20 0.37
TSHR P16473 2/20 0.37
TBXA2R P21731 8/20 0.36
EPHX2 P34913 1/20 0.36
F7 P08709 3/20 0.34
F3 P13726 3/20 0.34
PPARG P37231 2/20 0.34
PPARD Q03181 2/20 0.34
PPARA Q07869 2/20 0.34
LMNA P02545 2/20 0.34
ALOX15 P16050 2/20 0.34
HSD17B10 Q99714 2/20 0.34
DUSP3 P51452 1/20 0.34
PTPN7 P35236 1/20 0.34
KDM4E B2RXH2 1/20 0.34
FFAR1 O14842 1/20 0.34
FABP3 P05413 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP19A1 P11511 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
SCHEMBL7051766 0.74 PTGER2 (0.39) PTGER2ALDH1A1TSHRTBXA2R
SCHEMBL7100309 0.71 PTGER2 (0.46) PTGER2ALDH1A1TBXA2RPPARAHSD17B10
SCHEMBL7101676 0.71 PTGER2 (0.46) PTGER2ALDH1A1TBXA2RPPARAHSD17B10
SCHEMBL11837278 0.68 TOP1 (0.52) ALDH1A1TSHRTBXA2RF7F3
SCHEMBL7156105 0.67 PTGER2 (0.38) PTGER2TBXA2RCYP3A4
SCHEMBL7987075 0.67 PTGER2 (0.51) PTGER2ALDH1A1TBXA2REPHX2PPARG
SCHEMBL1649894 0.67 PPARG (0.51) PTGER2ALDH1A1TSHRTBXA2REPHX2
SCHEMBL1649895 0.67 PPARG (0.51) PTGER2ALDH1A1TSHRTBXA2REPHX2
SCHEMBL7112580 0.66 PTGER2 (0.42) PTGER2ALDH1A1LMNAHSD17B10KDM4E
SCHEMBL7943227 0.66 PTGER2 (0.49) PTGER2ALDH1A1TBXA2REPHX2PPARG

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
WO-1992005782-A1 USE OF THROMBOXANE A2-RECEPTOR ANTAGONISTS AGAINST PROLIFERATIVE ALTERATIONS OF THE BLOOD VESSEL WALLS BOEHRINGER MANNHEIM GMBH (DE) 1992-04-16 WO disclosed