SCHEMBL3924311

SCHEMBL3924311

COc1ccc(C#CC(O)c2ccc(F)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.46
HPGD P15428 1/20 0.45
ACACB O00763 1/20 0.44
FFAR1 O14842 1/20 0.43
NFE2L2 Q16236 1/20 0.42
LMNA P02545 3/20 0.42
GAA P10253 2/20 0.42
ALDH1A1 P00352 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MITF O75030 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
GPR35 Q9HC97 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
XBP1 P17861 1/20 0.40

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
SCHEMBL9942722 0.92 APP (0.53) APPACACBFFAR1ALDH1A1MAPK1
SCHEMBL2685285 0.84 APP (0.49) APPACACBALDH1A1NPC1RAB9A
SCHEMBL2683955 0.84 KMT2A (0.47) APPACACBGAAALDH1A1NPC1
SCHEMBL23572596 0.84 APP (0.49) APPACACBALDH1A1NPC1RAB9A
SCHEMBL22122696 0.84 KMT2A (0.47) APPACACBGAAALDH1A1NPC1
SCHEMBL9942708 0.82 FAAH (0.49) ACACBMAPK1MEN1KMT2A
SCHEMBL20865650 0.82 ACHE (0.45) NFE2L2LMNAALDH1A1NPC1AOC3
SCHEMBL5172544 0.81 APP (0.41) APPACACBALDH1A1MEN1KMT2A
SCHEMBL1818040 0.81 FAAH (0.48) APPACACBMAPK1
SCHEMBL1819985 0.81 MCHR1 (0.48) APPACACBALDH1A1AOC3CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2021841-A1 PHOTOCHROMIC MATERIALS COMPRISING HALOALKYL GROUPS TRANSITIONS OPTICAL, INC. (US) 2009-02-11 EP disclosed
EP-1963896-A1 PHOTOCHROMIC MATERIALS HAVING ELECTRON-WITHDRAWING SUBSTITUENTS TRANSITIONS OPTICAL, INC. (US) 2008-09-03 EP disclosed
WO-2007140071-A1 PHOTOCHROMIC MATERIALS COMPRISING HALOALKYL GROUPS TRANSITIONS OPTICAL, INC. (US) 2007-12-06 WO disclosed
WO-2007073462-A1 PHOTOCHROMIC MATERIALS HAVING ELECTRON-WITHDRAWING SUBSTITUENTS TRANSITIONS OPTICAL, INC. (US) 2007-06-28 WO disclosed
EP-1776436-A1 PHOTOCHROMIC MATERIALS TRANSITIONS OPTICAL, INC. (US) 2007-04-25 EP disclosed
WO-2006022825-A1 PHOTOCHROMIC MATERIALS TRANSITIONS OPTICAL, INC. (US) 2006-03-02 WO disclosed