SCHEMBL4315741

SCHEMBL4315741

Nc1ccc(COC2(OCc3ccc(N)cc3)CCCCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
GFER P55789 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAOB P27338 6/20 0.38
APP P05067 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.37
MAPT P10636 2/20 0.36
MAOA P21397 2/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EPHX1 P07099 1/20 0.34
DHFR P00374 2/20 0.33
KDM4E B2RXH2 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
SCHEMBL10942039 0.80 TSHR (0.44) TSHRDHFR
SCHEMBL6729320 0.72 TSHR (0.36) TSHRDHFR
SCHEMBL30361415 0.71 DPP4 (0.41) ALDH1A1GFERCYP3A4TSHRTDP1
SCHEMBL3482656 0.69 ALDH1A1 (0.48) ALDH1A1L3MBTL1GFERCYP3A4TSHR
SCHEMBL28409253 0.69 ALDH1A1 (0.48) ALDH1A1L3MBTL1GFERCYP3A4TSHR
SCHEMBL28637021 0.68 MAOB (0.52) ALDH1A1L3MBTL1GFERCYP3A4TSHR
SCHEMBL18616475 0.67 CARM1 (0.43) ALDH1A1CYP3A4TDP1
SCHEMBL234606 0.67 ALDH1A1 (0.55) ALDH1A1L3MBTL1GFERCYP3A4TSHR
SCHEMBL30963265 0.65 DPP4 (0.44) ALDH1A1L3MBTL1GFERCYP3A4TSHR
SCHEMBL1820867 0.65 MAOB (0.54) ALDH1A1L3MBTL1GFERCYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7507450-B2 Varnish for forming liquid crystal alignment layer and liquid crystal display element using the same CHISSO CORPORATION (JP) 2009-03-24 US disclosed
US-20060204680-A1 Varnish for forming liquid crystal alignment layer and liquid crystal display element using the same JNC CORPORATION (JP) 2006-09-14 US disclosed
US-6949281-B1 Varnish composition and liquid-crystal display element CHISSO CORPORATION (JP) 2005-09-27 US disclosed
US-6746730-B1 VARNISH COMPOSITION WHICH COMPRISES POLYMER COMPONENT CONTAINING TWO DIFFERENT POLYAMIC ACIDS, SOLUBLE POLYIMIDE, AND SOLVENT FOR DISSOLVING POLYMER COMPONENT CHISSO CORPORATION (JP) 2004-06-08 US disclosed
US-6685997-B1 SOLUTION CONTAINING POLYAMIC ACIDS, POLYAMIDES AND POLYIMIDES; ALIGNMENT FILM; WELL BALANCED ELECTRICAL CHARACTERISTICS; ELIMINATES IMAGE STICKING CHISSO CORPORATION (JP) 2004-02-03 US disclosed