SCHEMBL8104008

SCHEMBL8104008

C[C@](O)(NS(=O)(=O)N1CCC(C(=O)c2ccc(Oc3ccccc3)cc2)CC1)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.47
RECQL P46063 1/20 0.47
ALDH1A1 P00352 5/20 0.47
HTT P42858 1/20 0.47
LMNA P02545 1/20 0.47
MGLL Q99685 1/20 0.46
MAPK1 P28482 1/20 0.46
MAPT P10636 5/20 0.44
EPHX2 P34913 1/20 0.43
PPARG P37231 1/20 0.43
NR2E3 Q9Y5X4 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
GAA P10253 1/20 0.42
KDM2B Q8NHM5 3/20 0.42

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
SCHEMBL8103949 0.84 LMNA (0.59) SMN1; SMN2ALDH1A1HTTLMNAMGLL
SCHEMBL8096543 0.78 FAAH (0.49) SMN1; SMN2RECQLMAPTGAA
SCHEMBL8104005 0.77 ALDH1A1 (0.46) SMN1; SMN2RECQLALDH1A1HTTLMNA
SCHEMBL7314720 0.76 ALDH1A1 (0.48) SMN1; SMN2RECQLALDH1A1HTTLMNA
SCHEMBL7314715 0.76 ALDH1A1 (0.48) SMN1; SMN2RECQLALDH1A1HTTLMNA
SCHEMBL8096418 0.72 FPR2 (0.46) SMN1; SMN2LMNAMAPTEPHX2
SCHEMBL19317518 0.71 ALDH1A1 (0.59) ALDH1A1HTTMGLLMAPK1KDM2B
SCHEMBL31279890 0.71 ALDH1A1 (0.59) ALDH1A1HTTMGLLMAPK1KDM2B
SCHEMBL11614797 0.71 ALDH1A1 (0.73) SMN1; SMN2RECQLALDH1A1HTTLMNA
SCHEMBL8105690 0.71 LMNA (0.59) SMN1; SMN2ALDH1A1HTTLMNAMGLL

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6143744-A Sulfamide-metalloprotease inhibitors SYNTEX (U.S.A.) INC. (US) 2000-11-07 US disclosed
US-5998412-A ANTIARTHRITIC AGENTS; OSTEOPOROSIS SYNTEX (U.S.A.) INC. (US) 1999-12-07 US disclosed