SCHEMBL7593906

SCHEMBL7593906

C=C(C(=O)O)c1ccc(OC(=O)c2ccc(CCCCC)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 8/20 0.57
MAPT P10636 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
THRA P10827 6/20 0.51
RARB P10826 5/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HAO1 Q9UJM8 1/20 0.49
ALDH1A1 P00352 1/20 0.49
RARA P10276 1/20 0.49
MTOR P42345 1/20 0.49
PRSS1 P07477 1/20 0.47
ACR P10323 1/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL7587230 0.96 THRB (0.51) THRBMAPTSMN1; SMN2THRARARB
SCHEMBL9842583 0.89 THRB (0.61) THRBMAPTSMN1; SMN2THRARARB
SCHEMBL3612308 0.89 THRB (0.61) THRBMAPTSMN1; SMN2THRARARB
SCHEMBL7079660 0.89 THRB (0.65) THRBMAPTSMN1; SMN2THRARARB
SCHEMBL3621652 0.89 THRB (0.65) THRBMAPTSMN1; SMN2THRARARB
SCHEMBL8377166 0.88 THRB (0.61) THRBMAPTSMN1; SMN2THRARARB
SCHEMBL9341873 0.87 THRB (0.64) THRBMAPTSMN1; SMN2THRARARB
SCHEMBL9016853 0.87 THRB (0.64) THRBMAPTSMN1; SMN2THRARARB
SCHEMBL9342490 0.87 THRB (0.64) THRBMAPTSMN1; SMN2THRARARB
SCHEMBL9571636 0.87 THRB (0.64) THRBMAPTSMN1; SMN2THRARARB

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-0955348-B1 LIQUID-CRYSTAL COMPOSITION AND POLYMERIC LIQUID CRYSTAL OBTAINED BY POLYMERIZING THE SAME ASAHI GLASS CO LTD (JP) 2002-10-23 EP disclosed
US-6180028-B1 ACRYLATED ESTERS ASAHI GLASS COMPANY LTD. (JP) 2001-01-30 US disclosed
EP-0955348-A1 LIQUID-CRYSTAL COMPOSITION AND POLYMERIC LIQUID CRYSTAL OBTAINED BY POLYMERIZING THE SAME Asahi Glass Company Ltd. (JP) 1999-11-10 EP disclosed