SCHEMBL8917247

SCHEMBL8917247

C=CCOc1ccc(C(=O)Oc2ccc(C(=O)OCC(C)CC)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 4/20 0.58
▸ ADRB1 P08588 4/20 0.58
▸ ADRB3 P13945 4/20 0.58
▸ MAPT P10636 3/20 0.57
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ CYP2D6 P10635 2/20 0.45
▸ KMT2A Q03164 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ CHRNB2 P17787 4/20 0.41
▸ CHRNB4 P30926 4/20 0.41
▸ CHRNA3 P32297 4/20 0.41
▸ CHRNA4 P43681 4/20 0.41
▸ PRSS1 P07477 2/20 0.41
▸ ACR P10323 2/20 0.41
▸ LMNA P02545 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40

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
SCHEMBL8915082 1.00 ADRB2 (0.58) ADRB2ADRB1ADRB3MAPTNPC1
SCHEMBL10576384 0.96 ADRB2 (0.55) ADRB2ADRB1ADRB3MAPTNPC1
SCHEMBL9412131 0.96 ADRB2 (0.55) ADRB2ADRB1ADRB3MAPTNPC1
SCHEMBL10577524 0.96 ADRB2 (0.55) ADRB2ADRB1ADRB3MAPTNPC1
SCHEMBL10576380 0.96 ADRB2 (0.55) ADRB2ADRB1ADRB3MAPTNPC1
SCHEMBL8915090 0.90 MAPT (0.51) ADRB2ADRB1ADRB3MAPTNPC1
SCHEMBL8940379 0.89 ADRB2 (0.48) ADRB2ADRB1ADRB3MAPTNPC1
SCHEMBL9879291 0.89 ADRB2 (0.48) ADRB2ADRB1ADRB3MAPTNPC1
SCHEMBL8940376 0.89 ADRB2 (0.48) ADRB2ADRB1ADRB3MAPTNPC1
SCHEMBL9879287 0.89 ADRB2 (0.48) ADRB2ADRB1ADRB3MAPTNPC1

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-5656197-A Ferroelectric liquid crystal NATIONAL SCIENCE COUNCIL (TW) 1997-08-12 — — US disclosed
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