SCHEMBL7619282

SCHEMBL7619282

CCCC(CCc1cccc(OCc2ccccc2)c1)(COC(C)=O)NC(C)=O.CCCC(CCc1cccc(OCc2ccccc2)c1)(NC(=O)OC)C(=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.39
ALDH1A1 P00352 2/20 0.37
RECQL P46063 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAOB P27338 1/20 0.36
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
POLB P06746 1/20 0.36
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
LMNA P02545 2/20 0.35
BCHE P06276 1/20 0.35
THRB P10828 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
PDK1 Q15118 1/20 0.35

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
SCHEMBL7621706 0.89 ALDH1A1 (0.44) ALDH1A1RECQLMEN1KMT2APOLB
SCHEMBL7708057 0.89 CYP2D6 (0.47) CYP2D6MAOBLTB4RLTB4R2CYP4F2
SCHEMBL7716382 0.88 MAOB (0.46) CYP2D6ALDH1A1MEN1KMT2AMAOB
SCHEMBL7622109 0.85 MAOB (0.42) CYP2D6ALDH1A1MEN1KMT2AMAOB
SCHEMBL7625472 0.83 CYP2D6 (0.42) CYP2D6MAOBLTB4RLTB4R2CYP4F2
SCHEMBL7619561 0.80 CYP2D6 (0.40) CYP2D6ALDH1A1RECQLMEN1KMT2A
SCHEMBL7622457 0.77 RECQL (0.47) ALDH1A1RECQLMEN1KMT2ALMNA
SCHEMBL7712079 0.77 CYP2D6 (0.49) CYP2D6PPARGPPARA
SCHEMBL7707990 0.76 CYP2D6 (0.48) CYP2D6ALDH1A1MAOBLTB4RLTB4R2
SCHEMBL7622507 0.76 ALDH1A1 (0.45) ALDH1A1RECQLTHRBTAAR1

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-0778263-B1 BENZENE COMPOUND AND MEDICINAL USE THEREOF WELFIDE CORP (JP) 2002-01-09 EP disclosed