SCHEMBL18328867

SCHEMBL18328867

C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(-c3ccc(OCCCCCCOC(=O)C=C)cc3)c(C(=O)OCCCCOC(=O)C=C)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 4/20 0.46
▸ HTT P42858 3/20 0.42
▸ PTPN2 P17706 2/20 0.42
▸ PTPN1 P18031 1/20 0.42
▸ THRB P10828 1/20 0.41
▸ CYP3A4 P08684 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PTPN6 P29350 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 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
SCHEMBL4594325 0.87 HTT (0.44) PTPN11HTTPTPN2PTPN1THRB
SCHEMBL12731853 0.87 HTT (0.44) PTPN11HTTPTPN2PTPN1THRB
SCHEMBL12731850 0.87 HTT (0.44) PTPN11HTTPTPN2PTPN1THRB
SCHEMBL815840 0.87 HTT (0.44) PTPN11HTTPTPN2PTPN1THRB
SCHEMBL19757188 0.87 HTT (0.40) PTPN11HTTTHRBCYP3A4ALDH1A1
SCHEMBL8913193 0.86 HTT (0.43) PTPN11HTTPTPN2PTPN1THRB
SCHEMBL8913978 0.86 HTT (0.43) PTPN11HTTPTPN2PTPN1THRB
SCHEMBL18328868 0.86 THRB (0.45) PTPN11HTTPTPN2PTPN1THRB
SCHEMBL8913449 0.86 HTT (0.43) PTPN11HTTPTPN2PTPN1THRB
SCHEMBL8912528 0.86 HTT (0.43) PTPN11HTTPTPN2PTPN1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160370626-A1 LIQUID CRYSTAL DISPLAY DEVICE DIC CORPORATION (JP) 2016-12-22 — — US disclosed
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