SCHEMBL6509349

SCHEMBL6509349

CCOc1c(C#CCn2c3ccccc3c3ccccc32)cccc1OC(=O)CC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.36
TSPO P30536 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
POLB P06746 1/20 0.34
MAPT P10636 6/20 0.34
LMNA P02545 5/20 0.34
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
HPGD P15428 3/20 0.34
KDM4E B2RXH2 3/20 0.34
HTT P42858 3/20 0.34
GAA P10253 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CNR2 P34972 1/20 0.34
RAB9A P51151 1/20 0.34
HCRTR1 O43613 1/20 0.34

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
SCHEMBL6532465 0.75 MAPT (0.41) TP53POLBMAPTLMNAKMT2A
SCHEMBL6507803 0.75 ALDH1A1 (0.40) TP53KMT2AMEN1HPGDKDM4E
SCHEMBL6505883 0.69 MAPT (0.32) POLBMAPTHTT
SCHEMBL15558253 0.68 L3MBTL1 (0.46) MAPTKMT2AMEN1KDM4EGAA
SCHEMBL6249085 0.66 L3MBTL1 (0.59) TDP1POLBMAPTKMT2AKDM4E
SCHEMBL9627455 0.65 SLC2A1 (0.47) MAPTKMT2AHTTALDH1A1
SCHEMBL31053167 0.65 ALDH1A1 (0.58) TDP1KMT2AMEN1HPGDKDM4E
SCHEMBL8435546 0.64 ALOX15 (0.55) MAPTKMT2AMEN1HPGDKDM4E
SCHEMBL15558679 0.64 ALDH1A1 (0.44) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL7282783 0.63 ELANE (0.44) TDP1MAPTKMT2AMEN1HPGD

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