SCHEMBL9112221

SCHEMBL9112221

CC(C)Oc1ccc(CCCCCO)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
CYP4A11 Q02928 2/20 0.47
CYP4F2 P78329 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 1/20 0.45
CASP1 P29466 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SLCO1B3 Q9NPD5 1/20 0.45
SLCO1B1 Q9Y6L6 1/20 0.45
CYP1A2 P05177 1/20 0.45
GAA P10253 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
CA2 P00918 2/20 0.45

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
SCHEMBL9027085 1.00 POLB (0.50) POLBCYP4A11CYP4F2KDM4EALDH1A1
SCHEMBL23266258 0.98 POLB (0.51) POLBCYP4A11CYP4F2KDM4EALDH1A1
SCHEMBL5355098 0.93 POLB (0.53) POLBCYP4A11CYP4F2KDM4EALDH1A1
SCHEMBL11683841 0.91 POLB (0.51) POLBCYP4A11CYP4F2KDM4EALDH1A1
SCHEMBL833204 0.85 POLB (0.56) POLBCYP4A11CYP4F2KDM4EALDH1A1
SCHEMBL8734047 0.84 ESR1 (0.53) POLBKDM4EALDH1A1LMNAKMT2A
SCHEMBL26939981 0.84 ESR1 (0.53) POLBKDM4EALDH1A1LMNAKMT2A
SCHEMBL19058769 0.84 ESR1 (0.53) POLBKDM4EALDH1A1LMNAKMT2A
SCHEMBL4523904 0.83 LTA4H (0.67) POLBKDM4ELMNAACACBPPARA
SCHEMBL9036580 0.82 POLB (0.46) POLBKDM4EALDH1A1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0670831-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-09-13 EP disclosed
WO-1995009159-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-04-06 WO disclosed