SCHEMBL8077196

SCHEMBL8077196

C=CC(=O)OCCCCCCCCCCCCOc1cnc(-c2ccc(C(=O)Oc3ccc(C)cc3OC(=O)c3ccc(-c4ncc(OCCCCCCCCCCCCOC(=O)C=C)cn4)cc3)cc2)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
THRB P10828 1/20 0.36
HTT P42858 1/20 0.34
NPC1 O15118 2/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA9 Q16790 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
SCHEMBL8082064 0.90 MAPT (0.38) MAPTKMT2AALDH1A1CYP3A4TSHR
SCHEMBL8082089 0.90 HTT (0.41) MAPTALDH1A1CYP3A4TSHRTHRB
SCHEMBL8077328 0.88 MAPT (0.44) MAPTKMT2AALDH1A1CYP3A4THRB
SCHEMBL8080500 0.87 NPC1 (0.44) MAPTKMT2AALDH1A1CYP3A4TSHR
SCHEMBL8067412 0.86 XDH (0.43) MAPTALDH1A1CYP3A4TSHRTHRB
SCHEMBL8077319 0.86 THRB (0.36) MAPTKMT2AALDH1A1CYP3A4TSHR
SCHEMBL8077403 0.86 THRB (0.36) MAPTKMT2AALDH1A1CYP3A4TSHR
SCHEMBL8082091 0.86 THRB (0.36) MAPTKMT2AALDH1A1CYP3A4TSHR
SCHEMBL8080583 0.86 THRB (0.36) MAPTKMT2AALDH1A1CYP3A4TSHR
SCHEMBL8077222 0.86 THRB (0.36) MAPTKMT2AALDH1A1CYP3A4TSHR

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