SCHEMBL6661442

SCHEMBL6661442

CCCCCO[C@@H](Oc1ccc(Br)cc1)C(O)CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MGLL Q99685 1/20 0.39
ALDH1A1 P00352 1/20 0.38
PLA2G4B P0C869 2/20 0.37
NR5A1 Q13285 1/20 0.37
TP53 P04637 2/20 0.37
TSHR P16473 1/20 0.37
LTA4H P09960 1/20 0.36
MAPT P10636 2/20 0.35
LDHA P00338 1/20 0.35
RARB P10826 3/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
NPC1 O15118 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
SCHEMBL6661444 1.00 KDM4E (0.41) KDM4EMAPK1TDP1CYP3A4CYP2C9
SCHEMBL6656248 0.84 MGLL (0.37) KDM4EMAPK1TDP1CYP3A4CYP2C9
SCHEMBL6656930 0.84 MGLL (0.37) KDM4EMAPK1TDP1CYP3A4CYP2C9
SCHEMBL6656284 0.82 MGLL (0.35) KDM4EMAPK1TDP1CYP3A4CYP2C9
SCHEMBL6656286 0.82 MGLL (0.35) KDM4EMAPK1TDP1CYP3A4CYP2C9
SCHEMBL7546325 0.73 KDM4E (0.41) KDM4EMAPK1TDP1CYP2C19MGLL
SCHEMBL6662309 0.73 LDHA (0.44) KDM4EMAPK1TDP1ALDH1A1MAPT
SCHEMBL6690262 0.73 LDHA (0.44) KDM4EMAPK1TDP1ALDH1A1MAPT
SCHEMBL6661078 0.73 LDHA (0.44) KDM4EMAPK1TDP1ALDH1A1MAPT
SCHEMBL917938 0.70 NR5A1 (0.62) KDM4ETDP1PLA2G4BNR5A1TP53

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
EP-1160233-B1 Novel terphenyl compounds SHARP KK (JP) 2004-07-21 EP disclosed
EP-1160233-A2 Novel terphenyl compounds SHARP KABUSHIKI KAISHA (JP) 2001-12-05 EP disclosed