SCHEMBL7253488

SCHEMBL7253488

COc1cccc(CC(C)NC2c3ccccc3OC(C)(C)C2O)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 8/20 0.48
▸ TAAR1 Q96RJ0 2/20 0.42
▸ ADRB2 P07550 2/20 0.41
▸ KCNA5 P22460 1/20 0.41
▸ MMP1 P03956 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MMP8 P22894 1/20 0.39
▸ SLC2A1 P11166 1/20 0.38
▸ SIRT2 Q8IXJ6 1/20 0.37
▸ SIRT1 Q96EB6 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
SCHEMBL7253485 0.88 ABCB1 (0.50) ABCB1KCNA5
SCHEMBL2948774 0.69 TAAR1 (0.65) TAAR1ADRB2SLC2A1
SCHEMBL7256921 0.67 ABCB1 (0.48) ABCB1
SCHEMBL14655805 0.67 TAAR1 (0.67) TAAR1ADRB2SLC2A1
SCHEMBL4031646 0.66 ADRB2 (0.62) TAAR1ADRB2SLC2A1
SCHEMBL28244453 0.64 MTNR1A (0.66) TAAR1ADRB2
SCHEMBL27922345 0.64 MTNR1A (0.66) TAAR1ADRB2
SCHEMBL29365903 0.64 TAAR1 (0.71) TAAR1ADRB2
SCHEMBL9071087 0.64 TAAR1 (0.71) TAAR1ADRB2
SCHEMBL2427142 0.64 TAAR1 (0.71) TAAR1ADRB2

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
WO-2003014113-A1 NOVEL BENZOPYRAN COMPOUNDS AND PROCESS FOR THEIR PREPARATION AND USE GLENMARK PHARMACEUTICALS LIMITED (IN) 2003-02-20 — — WO claimed
WO-2003014113-A1 NOVEL BENZOPYRAN COMPOUNDS AND PROCESS FOR THEIR PREPARATION AND USE GLENMARK PHARMACEUTICALS LIMITED (IN) 2003-02-20 — — WO disclosed
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