SCHEMBL18018723

SCHEMBL18018723

Cc1ccc(C(=O)N[C@H]2CCCCC/C=C\[C@@H]3C[C@@]3(C(N)=O)NC(=O)[C@@H]3CCCN3C2=O)o1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ADRB3 P13945 1/20 0.34
▸ ADRA2B P18089 1/20 0.34
▸ ADRA2C P18825 1/20 0.34
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ XIAP P98170 2/20 0.32
▸ BIRC3 Q13489 2/20 0.32
▸ BIRC2 Q13490 2/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ TERF2 Q15554 1/20 0.31
▸ PABPC1 P11940 1/20 0.30
▸ EIF4H Q15056 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ PKM P14618 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
SCHEMBL8237405 0.82 F2 (0.39) HSD17B10ADRB3ADRA2BADRA2CXIAP
SCHEMBL18018711 0.80 ADRB3 (0.36) ADRB3ADRA2BADRA2CXIAPBIRC3
SCHEMBL18018757 0.79 KDM5A (0.36) ADRB3ADRA2BADRA2CXIAPBIRC3
SCHEMBL12784133 0.79 MEN1 (0.33) MEN1
SCHEMBL18018708 0.79 ADRB3 (0.38) ADRB3ADRA2BADRA2CXIAPBIRC3
SCHEMBL13435865 0.77 PSMB9 (0.32) ALDH1A1HSD17B10
SCHEMBL12784569 0.76 ADRB3 (0.32) ADRB3ADRA2BADRA2C
SCHEMBL11983932 0.75 ADRB3 (0.38) HSD17B10ADRB3ADRA2BADRA2CXIAP
SCHEMBL12784514 0.75 F2 (0.36) ADRB3ADRA2BADRA2C
SCHEMBL12785105 0.75 F2 (0.37) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016127859-A1 COMPOUNDS AS HEPATITIS C INHIBITORS AND USES THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-08-18 — — WO disclosed
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