SCHEMBL13961573

SCHEMBL13961573

CCC(C)(O)[C@@]12CC1/C=C\CCCCC[C@H](NC(=O)OC1CCCC1)C(=O)N1CCCC1C(=O)N2

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.37
▸ ADRA2B P18089 1/20 0.37
▸ ADRA2C P18825 1/20 0.37
▸ NAAA Q02083 1/20 0.31
▸ ALOX15 P16050 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ XIAP P98170 2/20 0.30
▸ BIRC3 Q13489 2/20 0.30
▸ BIRC2 Q13490 2/20 0.30
▸ EPHX1 P07099 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
SCHEMBL13962141 0.83 ADRB3 (0.39) ADRB3ADRA2BADRA2CALOX15HSD17B10
SCHEMBL8293914 0.83 ADRB3 (0.45) ADRB3ADRA2BADRA2CNAAAALOX15
SCHEMBL2633296 0.81 ADRB3 (0.38) ADRB3ADRA2BADRA2CNAAAXIAP
SCHEMBL12785318 0.79 ADRB3 (0.40) ADRB3ADRA2BADRA2CNAAA
SCHEMBL7940240 0.79 ADRB3 (0.39) ADRB3ADRA2BADRA2CALOX15HSD17B10
SCHEMBL8129662 0.78 ADRB3 (0.43) ADRB3ADRA2BADRA2CALOX15HSD17B10
SCHEMBL1683122 0.78 ADRB3 (0.36) ADRB3ADRA2BADRA2CNAAAALOX15
SCHEMBL8005984 0.78 ADRB3 (0.36) ADRB3ADRA2BADRA2CNAAAALOX15
SCHEMBL13059221 0.78 ADRB3 (0.36) ADRB3ADRA2BADRA2CNAAAALOX15
SCHEMBL1645088 0.78 ADRB3 (0.36) ADRB3ADRA2BADRA2CNAAAALOX15

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
WO-2008005565-A9 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES INC (US) 2009-01-29 — — WO disclosed
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