SCHEMBL8325401

SCHEMBL8325401

CCOC(=O)CC1CC1c1ccc(OC)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.46
KDM1A O60341 4/20 0.41
LMNA P02545 2/20 0.41
TRPM5 Q9NZQ8 1/20 0.40
MAOA P21397 2/20 0.39
NNMT P40261 1/20 0.38
PDE1C Q14123 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGAV P06756 1/20 0.38
ITGB6 P18564 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
PABPC1 P11940 2/20 0.38
CHRNA7 P36544 1/20 0.38
MAOB P27338 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MAPT P10636 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL8324795 0.84 MIF (0.38) LMNAITGB3ITGAVITGB6KDM4E
SCHEMBL6263545 0.84 FFAR1 (0.51) FFAR1KDM1ALMNAMAOANNMT
SCHEMBL2437089 0.81 HTR2C (0.54) FFAR1KDM1ALMNAMAOAMEN1
SCHEMBL15797925 0.81 HTR2C (0.54) FFAR1KDM1ALMNAMAOAMEN1
SCHEMBL6267026 0.79 FFAR1 (0.46) FFAR1KDM1ALMNAMAOANNMT
SCHEMBL8335519 0.79 FFAR1 (0.44) FFAR1KDM1ALMNATRPM5MAOA
SCHEMBL2428840 0.78 MIF (0.47) KDM1ALMNAKMT2AKDM4EMAPT
SCHEMBL15798206 0.77 HTR2A (0.47) LMNAMEN1KMT2AALDH1A1HTT
SCHEMBL17259159 0.77 HTR2A (0.47) LMNAMEN1KMT2AALDH1A1HTT
SCHEMBL7885591 0.76 KDM1A (0.43) FFAR1KDM1ALMNAMAOANNMT

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-2004058254-A1 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS PHARMACIA CORPORATION (US) 2004-07-15 WO disclosed