SCHEMBL10698112

SCHEMBL10698112

O=C(O)CCCCCCCc1cccc(OC2CCCCO2)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 9/20 0.48
DHFR P00374 1/20 0.48
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
CYSLTR2 Q9NS75 1/20 0.45
CYSLTR1 Q9Y271 1/20 0.45
MAPT P10636 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
MGLL Q99685 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL6158244 0.86 PPARA (0.39) FFAR4DHFRCNR1CNR2CYSLTR2
SCHEMBL11771086 0.83 DHFR (0.53) DHFRMEN1KMT2A
SCHEMBL234440 0.82 DHFR (0.54) DHFRCNR1CNR2MEN1KMT2A
SCHEMBL3189000 0.81 DHFR (0.55) DHFRMEN1KMT2A
SCHEMBL2754758 0.80 DHFR (0.44) DHFR
SCHEMBL9329213 0.78 DHFR (0.57) DHFR
SCHEMBL29646513 0.78 DHFR (0.57) DHFRCYSLTR1MEN1KMT2A
SCHEMBL13140896 0.78 DHFR (0.57) DHFRCYSLTR1MEN1KMT2A
SCHEMBL10830967 0.77 DHFR (0.49) DHFRMEN1KMT2A
SCHEMBL11769332 0.77 DHFR (0.56) DHFRMAPTMEN1KMT2A

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
EP-0271287-A2 Quinoline dioic acids and amides MERCK FROSST CANADA INC. (CA) 1988-06-15 EP disclosed