SCHEMBL8530390

SCHEMBL8530390

CC(=O)C(S)(CCN1C(=O)CCC1=O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.31
FGF2 P09038 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CNR2 P34972 1/20 0.31
RAB9A P51151 1/20 0.30
FAAH O00519 1/20 0.30
MGLL Q99685 1/20 0.30
POLB P06746 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
SCHEMBL7461702 0.90 SMN1; SMN2 (0.36) SMN1; SMN2HPGDHTTTSHRALDH1A1
SCHEMBL23566103 0.69 ALDH1A1 (0.38) SMN1; SMN2HPGDHTTTSHRALDH1A1
SCHEMBL14200373 0.68 POLB (0.38) SMN1; SMN2HPGDHTTALDH1A1MEN1
SCHEMBL10495316 0.66 SMN1; SMN2 (0.41) SMN1; SMN2HPGDHTTTSHRALDH1A1
SCHEMBL3143318 0.66
SCHEMBL57076 0.64 ALDH1A1 (0.54) SMN1; SMN2HPGDHTTALDH1A1MEN1
SCHEMBL6261105 0.64 POLB (0.35) HTTALDH1A1MEN1KMT2AFAAH
SCHEMBL8863095 0.63 POLB (0.43) SMN1; SMN2HPGDHTTALDH1A1MEN1
SCHEMBL9724425 0.63 SMN1; SMN2 (0.35) SMN1; SMN2HPGDHTTTSHRALDH1A1
SCHEMBL24287571 0.63 SMN1; SMN2 (0.46) SMN1; SMN2HPGDHTTTSHRALDH1A1

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-5994312-A Peptidyl compounds DARWIN DISCOVERY, LTD. (GB) 1999-11-30 US disclosed