SCHEMBL8075449

SCHEMBL8075449

C=CC(=O)OCCCCCCCCOc1ccc(-c2ccc(COc3ccc(CC)cc3OCc3ccc(-c4ccc(OCCCCCCCCOC(=O)C=C)cc4)cc3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
THRB P10828 1/20 0.41
TSHR P16473 2/20 0.41
HPGD P15428 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
RARB P10826 3/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN6 P29350 1/20 0.38
PTPN11 Q06124 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
CSF1R P07333 1/20 0.38
HTT P42858 2/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL8080550 0.92 THRB (0.45) MAPTTHRBTSHRHPGDALDH1A1
SCHEMBL8077109 0.89 PPARG (0.42) MAPTTHRBTSHRHPGDALDH1A1
SCHEMBL8077449 0.89 MAPT (0.43) MAPTTHRBTSHRHPGDALDH1A1
SCHEMBL8075506 0.89 CSF1R (0.39) MAPTTHRBTSHRHPGDALDH1A1
SCHEMBL8080543 0.86 MAPT (0.44) MAPTTHRBTSHRHPGDALDH1A1
SCHEMBL8077181 0.85 HDAC1 (0.44) MAPTTHRBTSHRALDH1A1CYP3A4
SCHEMBL8076445 0.85 HDAC1 (0.44) MAPTTHRBTSHRALDH1A1CYP3A4
SCHEMBL8082015 0.85 HDAC1 (0.44) MAPTTHRBTSHRALDH1A1CYP3A4
SCHEMBL8082122 0.85 HDAC1 (0.44) MAPTTHRBTSHRALDH1A1CYP3A4
SCHEMBL8082135 0.85 HDAC1 (0.44) MAPTTHRBTSHRALDH1A1CYP3A4

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