SCHEMBL7939776

SCHEMBL7939776

CCCCCCC(=O)N(C)CCN(C)C(=O)CCCCCC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.62
ALDH1A1 P00352 3/20 0.54
CNR1 P21554 1/20 0.53
CES2 O00748 3/20 0.52
CES1 P23141 3/20 0.52
KDM5A P29375 1/20 0.51
KDM4C Q9H3R0 1/20 0.51
PHF8 Q9UPP1 1/20 0.51
GPR84 Q9NQS5 7/20 0.50
PPARG P37231 6/20 0.50
PPARD Q03181 6/20 0.50
PPARA Q07869 6/20 0.50
HDAC11 Q96DB2 5/20 0.50
TSHR P16473 4/20 0.50
TLR2 O60603 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
FABP4 P15090 2/20 0.50
PTPN1 P18031 2/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
SLC22A8 Q8TCC7 1/20 0.50

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
SCHEMBL3627173 1.00 EPHX2 (0.62) EPHX2ALDH1A1CNR1CES2CES1
SCHEMBL6929143 0.94 EPHX2 (0.57) EPHX2ALDH1A1CNR1CES2CES1
SCHEMBL11775303 0.93 EPHX2 (0.70) EPHX2ALDH1A1CNR1CES2CES1
SCHEMBL516247 0.93 EPHX2 (0.60) EPHX2ALDH1A1CNR1CES2CES1
SCHEMBL2482309 0.93 EPHX2 (0.70) EPHX2ALDH1A1CNR1CES2CES1
SCHEMBL23343387 0.93 EPHX2 (0.70) EPHX2ALDH1A1CNR1CES2CES1
SCHEMBL5284897 0.93 EPHX2 (0.70) EPHX2ALDH1A1CNR1CES2CES1
SCHEMBL117447 0.93 EPHX2 (0.60) EPHX2ALDH1A1CNR1CES2CES1
SCHEMBL21596652 0.93 EPHX2 (0.70) EPHX2ALDH1A1CNR1CES2CES1
SCHEMBL8704909 0.93 EPHX2 (0.65) EPHX2ALDH1A1CNR1CES2CES1

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-0693466-B1 Process for the preparation of aromatic fluorinated compounds and diamides BAYER AG (DE) 2001-10-17 EP disclosed