SCHEMBL16675529

SCHEMBL16675529

C=CC(=O)OCCCCCOC(=O)C1CCC(C(=O)Oc2ccc(C(=O)OC3CCC(C4CCC(CCC)CC4)CC3)cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.35
TSHR P16473 2/20 0.35
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
ELANE P08246 1/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PLG P00747 1/20 0.32
THRB P10828 1/20 0.32
CYP3A4 P08684 1/20 0.32
HTT P42858 2/20 0.32
STS P08842 5/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL18199196 0.90 MAPT (0.40) HPGDTSHRELANEMAPTALDH1A1
SCHEMBL12087289 0.89 PTPN2 (0.43) HPGDTSHRPTPN2PTPN1THRB
SCHEMBL16425384 0.88 PTPN2 (0.41) HPGDTSHRPTPN2PTPN1ALDH1A1
SCHEMBL23227557 0.86 TSHR (0.41) HPGDTSHRALDH1A1KMT2ATHRB
SCHEMBL25500986 0.86 NPC1 (0.44) HPGDTSHRPTPN2PTPN1MAPT
SCHEMBL25500987 0.86 NPC1 (0.44) HPGDTSHRPTPN2PTPN1MAPT
SCHEMBL18199212 0.86 TSHR (0.41) HPGDTSHRMAPTALDH1A1MEN1
SCHEMBL27117959 0.86 NPC1 (0.44) HPGDTSHRPTPN2PTPN1MAPT
SCHEMBL16133502 0.86 PTPN2 (0.42) HPGDTSHRPTPN2PTPN1ALDH1A1
SCHEMBL14907456 0.86 PTPN2 (0.42) HPGDTSHRPTPN2PTPN1ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9416317-B2 Polymerizable liquid crystal compound, polymerizable liquid crystal composition, and optical anisotropic body LG CHEM, LTD. (KR) 2016-08-16 US disclosed
US-9416317-B2 Polymerizable liquid crystal compound, polymerizable liquid crystal composition, and optical anisotropic body LG CHEM, LTD. (KR) 2016-08-16 US disclosed
US-20160024385-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, AND OPTICAL ANISOTROPIC BODY LG CHEM, LTD. (KP) 2016-01-28 US disclosed
US-20160024385-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, AND OPTICAL ANISOTROPIC BODY LG CHEM, LTD. (KP) 2016-01-28 US disclosed
US-20150115199-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, AND OPTICALLY ANISOTROPIC BODY LG CHEM, LTD. (KR) 2015-04-30 US disclosed
US-20150115199-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, AND OPTICALLY ANISOTROPIC BODY LG CHEM, LTD. (KR) 2015-04-30 US disclosed