SCHEMBL10701536

SCHEMBL10701536

CCOc1cc(Oc2cc(OCC)c(O)c(O)c2OCC)c(OCC)c(O)c1O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.42
▸ CYP3A4 P08684 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.37
▸ HTT P42858 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TUBB1 Q9H4B7 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ LTA4H P09960 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ POLB P06746 1/20 0.34

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
SCHEMBL9750774 0.85 LTA4H (0.47) TSHRLTA4HGLAPOLB
SCHEMBL4959365 0.72 TUBB1 (0.42) TSHRKDM4ETUBB1ALDH1A1SMN1; SMN2
SCHEMBL10884933 0.72 ALDH1A1 (0.48) TSHRCYP3A4KDM4EALDH1A1SMN1; SMN2
SCHEMBL31360845 0.71 TSHR (0.52) TSHRCYP3A4KDM4EHTTLMNA
SCHEMBL10972323 0.70 ALDH1A1 (0.43) TSHRCYP3A4KDM4EALDH1A1SMN1; SMN2
SCHEMBL9541800 0.70 TSHR (0.57) TSHRCYP3A4HTTLMNATUBB1
SCHEMBL31376349 0.70 KDM4E (0.47) TSHRCYP3A4KDM4EALDH1A1MEN1
SCHEMBL11491934 0.69 TSHR (0.58) TSHRCYP3A4KDM4ELMNAALDH1A1
SCHEMBL5590629 0.69 TSHR (0.47) TSHRHTTLMNATUBB1ALDH1A1
SCHEMBL5588485 0.69 ESR1 (0.46) TSHRKDM4ETUBB1ALDH1A1MEN1

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
EP-0274248-A2 Poly(4-methyl-1-pentene) composition and articles molded therefrom MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1988-07-13 — — EP disclosed
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