SCHEMBL8067412

SCHEMBL8067412

C=CC(=O)OCCCCCCCCCCCCOc1cnc(-c2ccc(COc3ccc(C)cc3OCc3ccc(-c4ncc(OCCCCCCCCCCCCOC(=O)C=C)cn4)cc3)cc2)nc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
XDH P47989 8/20 0.43
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
MRGPRX4 Q96LA9 3/20 0.36
MAPT P10636 2/20 0.36
MAOB P27338 1/20 0.36
THRB P10828 1/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PPARG P37231 1/20 0.35
GAA P10253 1/20 0.34

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
SCHEMBL8075506 0.90 CSF1R (0.39) XDHALDH1A1CYP3A4TSHRMAPT
SCHEMBL8077109 0.89 PPARG (0.42) ALDH1A1CYP3A4TSHRMRGPRX4MAPT
SCHEMBL8729280 0.89 TNFRSF1A (0.41) XDHCYP3A4MRGPRX4MAPTMAOB
SCHEMBL8080467 0.89 THRB (0.39) XDHALDH1A1CYP3A4TSHRMAPT
SCHEMBL8723328 0.88 MAPT (0.43) CYP3A4MRGPRX4MAPTLMNAHTT
SCHEMBL8077196 0.86 MAPT (0.38) ALDH1A1CYP3A4TSHRMAPTTHRB
SCHEMBL8724338 0.86 KDM4E (0.37) CYP3A4TSHRMRGPRX4MAPTSMN1; SMN2
SCHEMBL8082110 0.86 XDH (0.41) XDHMRGPRX4THRB
SCHEMBL8077202 0.86 XDH (0.41) XDHMRGPRX4THRB
SCHEMBL8081952 0.86 XDH (0.41) XDHMRGPRX4THRB

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-0755918-B1 Photocrosslinkable liquid crystalline 1,2-phenylene derivatives ROLIC AG (CH) 2000-09-06 EP disclosed
US-5800733-A Photo cross-linkable liquid crystal derivatives ROLIC AG (CH) 1998-09-01 US disclosed
EP-0755918-A2 Photocrosslinkable liquid crystalline 1,2-phenylene derivatives Rolic AG (CH) 1997-01-29 EP disclosed