SCHEMBL20153539

SCHEMBL20153539

C=C=C(CC)C1CCC(=O)N1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CNR1 P21554 1/20 0.31
DAGLA Q9Y4D2 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL10725927 0.77 GAA (0.35) GAALMNASMN1; SMN2MEN1KMT2A
SCHEMBL12824669 0.74 LMNA (0.41) GAALMNASMN1; SMN2MEN1KMT2A
SCHEMBL8422238 0.74 LMNA (0.41) GAALMNASMN1; SMN2MEN1KMT2A
SCHEMBL14771635 0.74 LMNA (0.41) GAALMNASMN1; SMN2MEN1KMT2A
SCHEMBL25726608 0.73 ACACB (0.38)
Pidolic Acid SCHEMBL4640508 0.71 CAD (0.42) GAALMNASMN1; SMN2MEN1KMT2A
SCHEMBL6664539 0.70
SCHEMBL14827812 0.70
SCHEMBL23470353 0.69 SMN1; SMN2 (0.36) GAALMNASMN1; SMN2MEN1KMT2A
SCHEMBL9473779 0.68 HSD17B10 (0.42) GAALMNASMN1; SMN2MEN1KMT2A

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-2018089402-A1 TRICYCLIC SULFONES AS ROR GAMMA MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO disclosed