SCHEMBL6510219

SCHEMBL6510219

CCOC(=O)CCc1cccc(C#CCn2c3ccccc3c3ccccc32)c1OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.46
CYP4A11 Q02928 2/20 0.46
KDM4E B2RXH2 2/20 0.41
TNF P01375 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 2/20 0.40
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
CNR2 P34972 2/20 0.38
MAPT P10636 1/20 0.38
CREBBP Q92793 1/20 0.38
GSK3B P49841 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL6506652 0.80 CYP4F2 (0.41) CYP4F2CYP4A11KDM4ELMNAALDH1A1
SCHEMBL6528531 0.78 NOTUM (0.46) CYP4F2CYP4A11KDM4ETDP1RAB9A
SCHEMBL6529673 0.77 ALDH1A1 (0.49) CYP4F2CYP4A11ALDH1A1GAAMAPT
SCHEMBL6508554 0.76 ALDH1A1 (0.43) CYP4F2CYP4A11KDM4ELMNARAB9A
SCHEMBL6528363 0.76 MAPT (0.38) CYP4F2CYP4A11LMNAALDH1A1GAA
SCHEMBL6718325 0.71 CYP4F2 (0.59) CYP4F2CYP4A11KDM4ELMNAALDH1A1
SCHEMBL1128275 0.69 FNTA (0.68) KDM4ETNFTDP1RAB9AALDH1A1
SCHEMBL69660 0.68 CYP4F2 (0.86) CYP4F2CYP4A11KDM4ETDP1LMNA
SCHEMBL2302173 0.68 CYP4F2 (0.69) CYP4F2CYP4A11KDM4ETNFLMNA
SCHEMBL26661046 0.67 CYP4F2 (0.63) CYP4F2CYP4A11KDM4ETDP1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005100318-A1 ALKANOIC ACIDS AND THEIR ESTERS AS ANTIDIABETIC AGENTS RANBAXY LABORATORIES LIMITED (US) 2005-10-27 WO claimed
WO-2005100318-A1 ALKANOIC ACIDS AND THEIR ESTERS AS ANTIDIABETIC AGENTS RANBAXY LABORATORIES LIMITED (US) 2005-10-27 WO disclosed