SCHEMBL8080550

SCHEMBL8080550

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.45
TSHR P16473 2/20 0.42
HPGD P15428 1/20 0.42
MAPT P10636 1/20 0.41
RARB P10826 3/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
PTPN11 Q06124 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38

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
SCHEMBL8075449 0.92 MAPT (0.43) THRBTSHRHPGDMAPTRARB
SCHEMBL8077421 0.90 SMN1; SMN2 (0.48) THRBTSHRHPGDMAPTNPC1
SCHEMBL8080467 0.89 THRB (0.39) THRBTSHRHPGDMAPTRARB
SCHEMBL8077109 0.88 PPARG (0.42) THRBTSHRHPGDMAPTRARB
SCHEMBL8077092 0.86 MAPT (0.47) THRBTSHRHPGDMAPTRARB
SCHEMBL8725719 0.85 PPARD (0.48) THRBTSHRHPGDMAPTRARB
SCHEMBL8082122 0.84 HDAC1 (0.44) THRBTSHRMAPTRAB9AALDH1A1
SCHEMBL8082135 0.84 HDAC1 (0.44) THRBTSHRMAPTRAB9AALDH1A1
SCHEMBL8076445 0.84 HDAC1 (0.44) THRBTSHRMAPTRAB9AALDH1A1
SCHEMBL8067411 0.84 HDAC1 (0.44) THRBTSHRMAPTRAB9AALDH1A1

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