SCHEMBL8082091

SCHEMBL8082091

C=CC(=O)OCCCCCCOc1cnc(-c2ccc(C(=O)Oc3ccc(C#N)cc3OC(=O)c3ccc(-c4ncc(OCCCCCCOC(=O)C=C)cn4)cc3)cc2)nc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HTT P42858 3/20 0.35
ALDH1A1 P00352 4/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
MAPT P10636 5/20 0.34
KMT2A Q03164 1/20 0.34
MMP3 P08254 1/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
APLNR P35414 1/20 0.33
MMP2 P08253 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 2/20 0.32
TP53 P04637 1/20 0.32
PTGDR2 Q9Y5Y4 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
SCHEMBL8080583 1.00 THRB (0.36) THRBHDAC1HDAC2HTTALDH1A1
SCHEMBL8077403 1.00 THRB (0.36) THRBHDAC1HDAC2HTTALDH1A1
SCHEMBL8081968 1.00 THRB (0.36) THRBHDAC1HDAC2HTTALDH1A1
SCHEMBL8067480 1.00 THRB (0.36) THRBHDAC1HDAC2HTTALDH1A1
SCHEMBL8077319 1.00 THRB (0.36) THRBHDAC1HDAC2HTTALDH1A1
SCHEMBL8081970 1.00 THRB (0.36) THRBHDAC1HDAC2HTTALDH1A1
SCHEMBL8077222 1.00 THRB (0.36) THRBHDAC1HDAC2HTTALDH1A1
SCHEMBL8081960 0.99 THRB (0.37) THRBHDAC1HDAC2HTTALDH1A1
SCHEMBL8075510 0.97 THRB (0.37) THRBALDH1A1MAPTKMT2AMMP3
SCHEMBL8082060 0.92 HDAC1 (0.43) THRBHDAC1HDAC2HTTALDH1A1

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