SCHEMBL8080467

SCHEMBL8080467

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.39
MAPT P10636 2/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
SMPD1 P17405 1/20 0.36
TSHR P16473 2/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
XDH P47989 1/20 0.36
RARB P10826 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CNR2 P34972 1/20 0.35
CSF1R P07333 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 0.93 CSF1R (0.39) THRBMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8080550 0.89 THRB (0.45) THRBMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8067412 0.89 XDH (0.43) THRBMAPTSMN1; SMN2ALDH1A1TSHR
SCHEMBL8724338 0.88 KDM4E (0.37) MAPTSMN1; SMN2POLBSMPD1TSHR
SCHEMBL8077328 0.88 MAPT (0.44) THRBMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL8729280 0.87 TNFRSF1A (0.41) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL8723328 0.86 MAPT (0.43) MAPTRAB9ASMN1; SMN2SMPD1CYP3A4
SCHEMBL8077421 0.85 SMN1; SMN2 (0.48) THRBMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8081983 0.84 XDH (0.41) THRBXDH
SCHEMBL8080501 0.84 XDH (0.41) THRBXDH

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