SCHEMBL4421689

SCHEMBL4421689

[O]CCc1ccc(-c2ccc(CCCC=O)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.41
RARA P10276 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
MTOR P42345 1/20 0.39
KMT2A Q03164 1/20 0.39
HIF1A Q16665 1/20 0.35
HDAC2 Q92769 2/20 0.34
FDFT1 P37268 2/20 0.34
FFAR1 O14842 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
RARG P13631 1/20 0.33
HDAC1 Q13547 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA10 Q9GZZ6 1/20 0.33
CHRNA9 Q9UGM1 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL15453188 0.84 FFAR1 (0.50) HDAC2FDFT1FFAR1HDAC1TSHR
SCHEMBL11894568 0.82 RARB (0.47) RARBRARAMEN1ALDH1A1MAPT
SCHEMBL5908716 0.79 SPHK2 (0.40) HIF1A
SCHEMBL8339479 0.78 HDAC2 (0.51) HDAC2FDFT1FFAR1HDAC1TSHR
SCHEMBL10012084 0.78 HRH3 (0.41) RARBHDAC2FFAR1HRH3TSHR
SCHEMBL2792323 0.78 KIF11 (0.38) RARBRARAMEN1ALDH1A1MAPT
SCHEMBL20382471 0.77 HDAC2 (0.53) RARBRARAMEN1ALDH1A1MAPT
SCHEMBL2788621 0.75 RARB (0.35) RARBRARAMEN1ALDH1A1MAPT
SCHEMBL3242822 0.75 TAAR1 (0.46)
SCHEMBL13557815 0.75 CA2 (0.48) ALDH1A1MAPTHIF1ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7491752-B2 Photoactive materials ROLIC AG (CH) 2009-02-17 US claimed
US-20040265742-A1 Photoactive materials ROLIC AG (CH) 2004-12-30 US claimed
EP-1409563-A1 PHOTOACTIVE MATERIALS Rolic AG (CH) 2004-04-21 EP claimed
WO-2003008472-A1 PHOTOACTIVE MATERIALS ROLIC AG (CH) 2003-01-30 WO claimed
EP-1277770-A1 Photoactive materials Rolic AG (CH) 2003-01-22 EP claimed
US-7491752-B2 Photoactive materials ROLIC AG (CH) 2009-02-17 US disclosed
US-20040265742-A1 Photoactive materials ROLIC AG (CH) 2004-12-30 US disclosed
EP-1409563-A1 PHOTOACTIVE MATERIALS Rolic AG (CH) 2004-04-21 EP disclosed
WO-2003008472-A1 PHOTOACTIVE MATERIALS ROLIC AG (CH) 2003-01-30 WO disclosed
EP-1277770-A1 Photoactive materials Rolic AG (CH) 2003-01-22 EP disclosed