SCHEMBL17049459

SCHEMBL17049459

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

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 8/20 0.56
ALDH1A1 P00352 3/20 0.48
RAB9A P51151 2/20 0.48
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 2/20 0.41
MAPK1 P28482 1/20 0.41
MMP2 P08253 1/20 0.40
MMP12 P39900 1/20 0.40
ATM Q13315 1/20 0.40
TP53 P04637 2/20 0.39
NPC1 O15118 2/20 0.39
GAA P10253 1/20 0.39
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39

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
SCHEMBL17049461 0.97 ACACB (0.55) ACACBALDH1A1RAB9ALMNASMN1; SMN2
SCHEMBL17049471 0.93 ACACB (0.58) ACACBALDH1A1RAB9ALMNASMN1; SMN2
SCHEMBL2623651 0.91 ACACB (0.46) ACACBALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL17049462 0.89 ACACB (0.54) ACACBALDH1A1RAB9ALMNASMN1; SMN2
SCHEMBL17049470 0.88 ACACB (0.58) ACACBALDH1A1RAB9ALMNASMN1; SMN2
SCHEMBL17049463 0.88 ACACB (0.53) ACACBALDH1A1RAB9ALMNASMN1; SMN2
SCHEMBL13302477 0.88 ACACB (0.45) ACACBALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL17049460 0.87 ACACB (0.57) ACACBALDH1A1RAB9ALMNASMN1; SMN2
SCHEMBL16799896 0.84 ACACB (0.40) ACACBALDH1A1RAB9AHPGDNPC1
SCHEMBL16799894 0.84 ACACB (0.40) ACACBALDH1A1RAB9AHPGDNPC1

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