SCHEMBL11034403

SCHEMBL11034403

N#Cc1cccc(CC[O])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.51
CNR1 P21554 1/20 0.47
KCNJ1 P48048 1/20 0.47
KCNH2 Q12809 1/20 0.47
FFAR1 O14842 2/20 0.47
FFAR4 Q5NUL3 1/20 0.47
MEP1A Q16819 1/20 0.46
MEP1B Q16820 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP19A1 P11511 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
HTR2B P41595 1/20 0.45
LMNA P02545 1/20 0.44
GSK3B P49841 1/20 0.43
DAO P14920 1/20 0.43
IDH1 O75874 1/20 0.43
FOLH1 Q04609 1/20 0.43

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
SCHEMBL2154019 0.87 GLA (0.53) GLACNR1KCNJ1KCNH2FFAR1
SCHEMBL9900679 0.84 ALDH1A1 (0.48) GLACNR1KCNJ1KCNH2FFAR1
SCHEMBL28248372 0.83 HTR2B (0.54) GLACNR1KCNJ1KCNH2FFAR1
SCHEMBL28865565 0.83 HTR2B (0.50) GLACNR1KCNJ1KCNH2FFAR1
SCHEMBL595713 0.83 GLA (0.54) GLAFFAR1FFAR4MEP1AMEP1B
SCHEMBL24358855 0.82 HTR2B (0.49) GLACNR1KCNJ1KCNH2FFAR1
SCHEMBL6950852 0.82 TSHR (0.52) GLACNR1KCNJ1KCNH2FFAR1
SCHEMBL29732423 0.82 HTR2B (0.49) GLACNR1KCNJ1KCNH2FFAR1
SCHEMBL5643624 0.81 MEN1 (0.52) GLACNR1KCNJ1KCNH2FFAR1
SCHEMBL320197 0.80 HRH3 (0.49) GLACNR1KCNJ1KCNH2FFAR1

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
US-4517197-A ANTIDEPRESSANTS DELALANDE S.A. (FR) 1985-05-14 US disclosed