SCHEMBL8077421

SCHEMBL8077421

C=CC(=O)OCCCCCCCCOc1ccc(-c2ccc(COc3ccc(CCC)cc3OCc3ccc(-c4ccc(OCCCCCCCCOC(=O)C=C)cc4)nc3)cn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.48
MAPT P10636 6/20 0.48
THRB P10828 5/20 0.44
RAB9A P51151 6/20 0.41
NPC1 O15118 5/20 0.41
TP53 P04637 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HPGD P15428 6/20 0.40
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 5/20 0.40
MITF O75030 1/20 0.40
KLF5 Q13887 1/20 0.40
HTT P42858 1/20 0.39
STAT3 P40763 1/20 0.39
ATM Q13315 1/20 0.39
CASP3 P42574 2/20 0.39
SENP8 Q96LD8 2/20 0.39
SENP7 Q9BQF6 2/20 0.39
SENP6 Q9GZR1 2/20 0.39
NFKB1 P19838 1/20 0.37

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
SCHEMBL8077449 0.93 MAPT (0.43) SMN1; SMN2MAPTTHRBRAB9ANPC1
SCHEMBL8080550 0.90 THRB (0.45) SMN1; SMN2MAPTTHRBRAB9ANPC1
SCHEMBL8067467 0.89 MAPT (0.39) SMN1; SMN2MAPTTHRBRAB9ANPC1
SCHEMBL8724364 0.88 MAPT (0.47) SMN1; SMN2MAPTTHRBRAB9ANPC1
SCHEMBL8729302 0.87 MAPT (0.44) SMN1; SMN2MAPTTHRBRAB9ANPC1
SCHEMBL8728075 0.86 MAPT (0.45) SMN1; SMN2MAPTTHRBRAB9ANPC1
SCHEMBL8077327 0.86 ALDH1A1 (0.46) SMN1; SMN2MAPTTHRBL3MBTL1HPGD
SCHEMBL8077341 0.86 ALDH1A1 (0.46) SMN1; SMN2MAPTTHRBL3MBTL1HPGD
SCHEMBL8081986 0.86 ALDH1A1 (0.46) SMN1; SMN2MAPTTHRBL3MBTL1HPGD
SCHEMBL8077314 0.86 ALDH1A1 (0.46) SMN1; SMN2MAPTTHRBL3MBTL1HPGD

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