SCHEMBL2633242

SCHEMBL2633242

O=C(N[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(P(=O)(O)Cc2ccccc2Cl)NC(=O)[C@@H]2CCCN2C1=O)OC1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ MEN1 O00255 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.31
▸ XIAP P98170 2/20 0.31
▸ BIRC3 Q13489 2/20 0.31
▸ BIRC2 Q13490 2/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL2633290 0.92 ADRB3 (0.37) ADRB3ADRA2BADRA2CMEN1XIAP
SCHEMBL13961555 0.91 ADRB3 (0.39) ADRB3ADRA2BADRA2CMEN1XIAP
SCHEMBL13961553 0.90 TSHR (0.34) ADRB3ADRA2BADRA2CMEN1TSHR
SCHEMBL2633212 0.88 ADRB3 (0.36) ADRB3ADRA2BADRA2CTSHRALDH1A1
SCHEMBL13961550 0.87 ADRB3 (0.36) ADRB3ADRA2BADRA2CTP53
SCHEMBL13961552 0.87 ADRB3 (0.35) ADRB3ADRA2BADRA2C
SCHEMBL2633296 0.86 ADRB3 (0.38) ADRB3ADRA2BADRA2CXIAPBIRC3
SCHEMBL13962141 0.86 ADRB3 (0.39) ADRB3ADRA2BADRA2CTSHRALOX15
SCHEMBL13961549 0.85 ADRB3 (0.36) ADRB3ADRA2BADRA2C
SCHEMBL13961563 0.84 ADRB3 (0.38) ADRB3ADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2043658-B1 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES INC (US) 2012-04-25 — — EP disclosed
WO-2008005565-A9 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES INC (US) 2009-01-29 — — WO disclosed
WO-2008005565-A2 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2008-01-10 — — WO disclosed
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