SCHEMBL17049463

SCHEMBL17049463

CCC(C)NC(=O)c1cccc(C#CCCCC(=O)N(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 11/20 0.53
ALDH1A1 P00352 3/20 0.43
RAB9A P51151 1/20 0.43
HPGD P15428 2/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.38
TP53 P04637 2/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL17049472 0.94 ACACB (0.55) ACACBALDH1A1RAB9AHPGDMAPK1
SCHEMBL2623650 0.92 ACACB (0.44) ACACBHPGDATM
SCHEMBL13302487 0.88 ACACB (0.43) ACACBHPGDATM
SCHEMBL17049459 0.88 ACACB (0.56) ACACBALDH1A1RAB9AHPGDMAPK1
SCHEMBL16800060 0.87 ACACB (0.40) ACACB
SCHEMBL16800061 0.87 ACACB (0.40) ACACB
SCHEMBL20810502 0.87 ACACB (0.41) ACACBALDH1A1HPGDLMNAGAA
SCHEMBL17049462 0.86 ACACB (0.54) ACACBALDH1A1RAB9AHPGDMAPK1
SCHEMBL17049470 0.85 ACACB (0.58) ACACBALDH1A1RAB9AHPGDMAPK1
SCHEMBL16799995 0.85 NPSR1 (0.39) ACACBALDH1A1RAB9AHPGD

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-9120723-B2 Modulator CANBEX THERAPEUTICS LIMITED (GB) 2015-09-01 US disclosed