SCHEMBL17049461

SCHEMBL17049461

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 6/20 0.55
ALDH1A1 P00352 4/20 0.47
RAB9A P51151 1/20 0.47
MMP2 P08253 1/20 0.42
MMP12 P39900 1/20 0.42
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 2/20 0.40
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.39
TP53 P04637 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL17049459 0.97 ACACB (0.56) ACACBALDH1A1RAB9AMMP2MMP12
SCHEMBL17049471 0.92 ACACB (0.58) ACACBALDH1A1RAB9ALMNASMN1; SMN2
SCHEMBL13302477 0.91 ACACB (0.45) ACACBALDH1A1MMP2MMP12LMNA
SCHEMBL2623651 0.88 ACACB (0.46) ACACBALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL17049470 0.87 ACACB (0.58) ACACBALDH1A1RAB9ALMNASMN1; SMN2
SCHEMBL17049460 0.86 ACACB (0.57) ACACBALDH1A1RAB9ALMNASMN1; SMN2
SCHEMBL17049462 0.86 ACACB (0.54) ACACBALDH1A1RAB9ALMNASMN1; SMN2
SCHEMBL17049463 0.85 ACACB (0.53) ACACBALDH1A1RAB9ALMNASMN1; SMN2
SCHEMBL16799931 0.84 POLB (0.42) ACACBALDH1A1RAB9AMMP2MMP12
SCHEMBL16799929 0.84 POLB (0.42) ACACBALDH1A1RAB9AMMP2MMP12

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