SCHEMBL8995983

SCHEMBL8995983

CCCCOc1c(F)cccc1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.52
ADRA1D P25100 7/20 0.52
ADRA1A P35348 7/20 0.52
ADRA1B P35368 7/20 0.52
KDM1A O60341 5/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
BCHE P06276 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
NPC1 O15118 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.45
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
LIPE Q05469 1/20 0.43

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
SCHEMBL12648399 0.86 L3MBTL1 (0.51) L3MBTL1TDP1
SCHEMBL1766179 0.86 MAPT (0.56) HTR1AADRA1DADRA1AADRA1BKDM1A
SCHEMBL12745447 0.81 HTR1A (0.63) HTR1AADRA1DADRA1AADRA1BL3MBTL1
SCHEMBL12627780 0.79 MAPT (0.50) HTR1AADRA1DADRA1AADRA1BL3MBTL1
SCHEMBL15295256 0.79 L3MBTL1 (0.44) L3MBTL1TDP1
SCHEMBL10604249 0.78 MAPT (0.56) HTR1AADRA1DADRA1AADRA1BL3MBTL1
SCHEMBL30080427 0.77 MAPT (0.58) HTR1AKDM1AL3MBTL1MAPTMAPK1
SCHEMBL9706382 0.77 MAPT (0.58) HTR1AKDM1AL3MBTL1MAPTMAPK1
SCHEMBL29000550 0.77 HTR1A (0.57) HTR1AADRA1DADRA1AADRA1BL3MBTL1
SCHEMBL12745444 0.76 HTR1A (0.61) HTR1AADRA1DADRA1AADRA1BL3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0537742-B1 Styrene derivatives MITSUBISHI CHEM CORP (JP) 1996-08-21 EP disclosed
US-5514711-A ANTICARCINOGENIC AGENTS; SIDE EFFECT REDUCTION MITSUBISHI CHEMICAL CORPORATION (JP) 1996-05-07 US disclosed
EP-0537742-A2 Styrene derivatives Mitsubishi Chemical Corporation (JP) 1993-04-21 EP disclosed