SCHEMBL6656930

SCHEMBL6656930

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NR5A1 Q13285 1/20 0.35
TP53 P04637 2/20 0.35
TSHR P16473 1/20 0.35
LTA4H P09960 2/20 0.34
PLA2G4B P0C869 2/20 0.34
MAPT P10636 3/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL6656248 1.00 MGLL (0.37) MGLLKDM4EMAPK1TDP1ALDH1A1
SCHEMBL6656284 0.92 MGLL (0.35) MGLLKDM4EMAPK1TDP1ALDH1A1
SCHEMBL6656286 0.92 MGLL (0.35) MGLLKDM4EMAPK1TDP1ALDH1A1
SCHEMBL6657628 0.85 NR5A1 (0.35) NR5A1TP53TSHRLTA4HPLA2G4B
SCHEMBL6661444 0.84 KDM4E (0.41) MGLLKDM4EMAPK1TDP1ALDH1A1
SCHEMBL6661442 0.84 KDM4E (0.41) MGLLKDM4EMAPK1TDP1ALDH1A1
SCHEMBL7915947 0.81 SLC6A4 (0.39) TP53TSHRPLA2G4BMAPTCYP3A4
SCHEMBL6676707 0.79 SLC6A4 (0.39) NPC1LMNARAB9A
SCHEMBL6655191 0.79 SLC6A4 (0.39) NPC1LMNARAB9A
SCHEMBL7546325 0.74 KDM4E (0.41) MGLLKDM4EMAPK1TDP1ALDH1A1

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