SCHEMBL11261966

SCHEMBL11261966

CCCCCCCCCCCCC(O)CN1CCC/N=C(/C)CC1=O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 5/20 0.37
GAA P10253 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FFAR4 Q5NUL3 1/20 0.35
FFAR1 O14842 1/20 0.35
ADA P00813 1/20 0.35
KDR P35968 1/20 0.35
NFKB1 P19838 1/20 0.35
PTGER4 P35408 3/20 0.34
PTGER3 P43115 3/20 0.34
PTGER2 P43116 3/20 0.34
CYP2C19 P33261 1/20 0.33

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
SCHEMBL11255146 0.93 GPR84 (0.38) GPR84GAAALDH1A1MAPTTHRB
SCHEMBL11257124 0.80 ALDH1A1 (0.49) GAAALDH1A1MAPTTHRB
SCHEMBL11473310 0.76 ADA (0.38) GPR84ALDH1A1L3MBTL1FFAR4FFAR1
SCHEMBL11270392 0.76 ALDH1A1 (0.35) GPR84GAAALDH1A1MAPTTHRB
SCHEMBL11262212 0.76 ALDH1A1 (0.35) GPR84GAAALDH1A1MAPTTHRB
SCHEMBL11270382 0.74 GPR84 (0.34) GPR84GAAALDH1A1MAPTTHRB
SCHEMBL11260602 0.74 ALDH1A1 (0.40) GAAALDH1A1MAPTTHRB
SCHEMBL11268114 0.74 MGLL (0.43) GAAALDH1A1MAPTTHRB
SCHEMBL11252129 0.74 ALDH1A1 (0.40) GAAALDH1A1MAPTTHRB
SCHEMBL11268117 0.74 MGLL (0.43) GAAALDH1A1MAPTTHRB

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-4346087-A CORROSION RESISTANCE TOHO CHEMICAL INDUSTRY CO., LTD. (JP) 1982-08-24 US disclosed