SCHEMBL8081960

SCHEMBL8081960

C=CC(=O)OCCCCOc1cnc(-c2ccc(C(=O)Oc3ccc(C#N)cc3OC(=O)c3ccc(-c4ncc(OCCCCOC(=O)C=C)cn4)cc3)cc2)nc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.37
MAPT P10636 5/20 0.35
KMT2A Q03164 1/20 0.35
MMP3 P08254 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MMP2 P08253 1/20 0.33
HTT P42858 1/20 0.33
APLNR P35414 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
MET P08581 1/20 0.33
ALKBH1 Q13686 2/20 0.33
TYMS P04818 1/20 0.32

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
SCHEMBL8077222 0.99 THRB (0.36) THRBMAPTKMT2AMMP3HDAC1
SCHEMBL8067480 0.99 THRB (0.36) THRBMAPTKMT2AMMP3HDAC1
SCHEMBL8080583 0.99 THRB (0.36) THRBMAPTKMT2AMMP3HDAC1
SCHEMBL8077403 0.99 THRB (0.36) THRBMAPTKMT2AMMP3HDAC1
SCHEMBL8082091 0.99 THRB (0.36) THRBMAPTKMT2AMMP3HDAC1
SCHEMBL8081970 0.99 THRB (0.36) THRBMAPTKMT2AMMP3HDAC1
SCHEMBL8081968 0.99 THRB (0.36) THRBMAPTKMT2AMMP3HDAC1
SCHEMBL8077319 0.99 THRB (0.36) THRBMAPTKMT2AMMP3HDAC1
SCHEMBL8075510 0.98 THRB (0.37) THRBMAPTKMT2AMMP3ALDH1A1
SCHEMBL8067473 0.91 MMP3 (0.42) THRBMAPTMMP3HDAC1HDAC2

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 2 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
EP-0755918-A2 Photocrosslinkable liquid crystalline 1,2-phenylene derivatives Rolic AG (CH) 1997-01-29 EP disclosed