SCHEMBL11271408

SCHEMBL11271408

CCOC(=O)C(CCc1ccc(Cl)cc1)C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.46
TDP1 Q9NUW8 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
KDM4E B2RXH2 2/20 0.45
TNF P01375 1/20 0.45
LMNA P02545 1/20 0.45
HSP90AA1 P07900 1/20 0.45
HPGD P15428 1/20 0.45
ALOX12 P18054 1/20 0.45
CCR6 P51684 1/20 0.45
RUNX1 Q01196 1/20 0.45
CBFB Q13951 1/20 0.45
HKDC1 Q2TB90 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NOD2 Q9HC29 1/20 0.45
GPR35 Q9HC97 1/20 0.45
NOD1 Q9Y239 1/20 0.45

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
SCHEMBL7057182 0.92 EPHX2 (0.44) EPHX2ALDH1A1MAPTKDM4ETNF
SCHEMBL29681728 0.91 TDP1 (0.51) TDP1MEN1KMT2AALDH1A1MAPT
SCHEMBL11038591 0.90 PPARA (0.51) EPHX2TDP1MEN1KMT2AALDH1A1
SCHEMBL11203948 0.88 PPARA (0.48) EPHX2TDP1MEN1KMT2AALDH1A1
SCHEMBL10383314 0.88 PPARA (0.48) EPHX2TDP1MEN1KMT2AALDH1A1
SCHEMBL11276809 0.86 MEN1 (0.59) TDP1MEN1KMT2AALDH1A1MAPT
SCHEMBL6049943 0.85 EPHX2 (0.45) EPHX2TDP1ALDH1A1MAPTKDM4E
SCHEMBL10755378 0.85 CYP4F2 (0.47) TDP1MEN1KMT2AALDH1A1MAPT
SCHEMBL10757869 0.85 CYP4F2 (0.60) TDP1MEN1KMT2AALDH1A1MAPT
SCHEMBL11205164 0.84 PPARA (0.56) EPHX2TDP1MEN1KMT2AALDH1A1

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-0064244-A1 Spermicidal 1-bis(arylalkyl)alkylimidazoles SYNTEX (U.S.A.) INC. (US) 1982-11-10 EP disclosed