SCHEMBL13244480

SCHEMBL13244480

CC(C)(C)Oc1ccc(-c2ccc(Oc3ccc(C(=O)c4ccc(C(C)(C)C)c(S(=O)(=O)O)c4)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)cc1S(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RARG P13631 3/20 0.36
▸ RARB P10826 2/20 0.36
▸ RARA P10276 1/20 0.36
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ ESRRA P11474 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ LMNA P02545 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ IDO1 P14902 4/20 0.31
▸ WDR5 P61964 1/20 0.31
▸ ACLY P53396 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ PKM P14618 1/20 0.30

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
SCHEMBL13244479 0.85 POLB (0.33) RARGRARBRARATSHR
SCHEMBL14364636 0.78 ALDH1A1 (0.33) RARGRARBRARAESRRAALDH1A1
SCHEMBL14557904 0.78 ELANE (0.30) —
SCHEMBL12834717 0.78 ESRRA (0.36) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL13244482 0.76 SIRT1 (0.32) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL26572765 0.75 CA2 (0.37) RARGRARBRARACYP1A2CYP3A4
SCHEMBL10067129 0.74 CASP1 (0.36) CYP2C9ALDH1A1LMNAMAPTKMT2A
SCHEMBL12807619 0.73 CASP1 (0.33) ALDH1A1LMNAMAPTKMT2A
SCHEMBL10139739 0.73 PTPN1 (0.31) —
SCHEMBL20375312 0.72 POLB (0.35) TSHRALDH1A1MAPTKMT2AL3MBTL1

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-20100209810-A1 POLYMER ELECTROLYTE COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-08-19 — — US disclosed
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