SCHEMBL11706993

SCHEMBL11706993

COc1cc(OC)cc(C(=O)NCCc2ccc(-c3ccc(O)cc3)cc2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.59
▸ MAPT P10636 4/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ MEN1 O00255 3/20 0.56
▸ CYP1A2 P05177 2/20 0.56
▸ CYP2D6 P10635 2/20 0.56
▸ CYP2C19 P33261 2/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ ALOX12 P18054 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ ESRRB O95718 2/20 0.54
▸ ESRRG P62508 2/20 0.54
▸ RAB9A P51151 5/20 0.53
▸ NPC1 O15118 3/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ GAA P10253 1/20 0.53
▸ GFER P55789 1/20 0.53
▸ DNMT3A Q9Y6K1 1/20 0.53

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
SCHEMBL11707327 0.89 RAB9A (0.59) MAPTKMT2AMEN1ALDH1A1RAB9A
SCHEMBL11706684 0.88 RAB9A (0.65) MAPTKMT2AMEN1CYP1A2CYP2D6
SCHEMBL11708595 0.82 RAB9A (0.73) MAPTKMT2AMEN1CYP3A4CYP2C9
SCHEMBL11706215 0.80 ALDH1A1 (0.65) MAPTKMT2AMEN1ALDH1A1RAB9A
SCHEMBL11705535 0.79 PPARA (0.50) POLBMAPTKMT2AMEN1CYP1A2
SCHEMBL11710415 0.78 NPC1 (0.68) MAPTCYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL8437113 0.78 KDM4E (0.71) POLBMAPTKMT2AMEN1ALDH1A1
SCHEMBL11711200 0.77 RAB9A (0.66) MAPTKMT2AMEN1CYP1A2CYP2D6
SCHEMBL3031951 0.77 RAB9A (0.65) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL15618832 0.77 RAB9A (0.77) MAPTKMT2AMEN1ALDH1A1RAB9A

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-4010279-A BIPHENYLOXY DERIVATIVES AND ANTIHYPERLIPIDEMIC USE BOEHRINGER INGELHEIM GMBH (DT) 1977-03-01 — — US disclosed
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