SCHEMBL7314720

SCHEMBL7314720

C[C@@H](NS(=O)(=O)N1CCC(C(=O)c2ccc(Oc3ccccc3)cc2)CC1)C(=O)NO

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
RECQL P46063 1/20 0.47
LMNA P02545 1/20 0.47
MGLL Q99685 1/20 0.46
MMP3 P08254 2/20 0.45
MMP1 P03956 2/20 0.45
MMP2 P08253 1/20 0.45
MMP7 P09237 1/20 0.45
MMP9 P14780 1/20 0.45
MMP13 P45452 1/20 0.45
MAPT P10636 4/20 0.44
KDM2B Q8NHM5 3/20 0.42
HTT P42858 1/20 0.42
EPHX2 P34913 1/20 0.41
ADAM17 P78536 1/20 0.41

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
SCHEMBL7314715 1.00 ALDH1A1 (0.48) ALDH1A1MAPK1SMN1; SMN2RECQLLMNA
SCHEMBL4674228 0.84 LMNA (0.59) ALDH1A1SMN1; SMN2LMNAMGLLMMP1
SCHEMBL4674225 0.84 LMNA (0.59) ALDH1A1SMN1; SMN2LMNAMGLLMMP1
SCHEMBL8104005 0.79 ALDH1A1 (0.46) ALDH1A1MAPK1SMN1; SMN2RECQLLMNA
SCHEMBL7319451 0.78 KMT2A (0.50) SMN1; SMN2RECQLMMP3MMP1MMP2
SCHEMBL4672695 0.78 KMT2A (0.50) SMN1; SMN2RECQLMMP3MMP1MMP2
SCHEMBL8104008 0.76 SMN1; SMN2 (0.47) ALDH1A1MAPK1SMN1; SMN2RECQLLMNA
SCHEMBL11614797 0.74 ALDH1A1 (0.73) ALDH1A1MAPK1SMN1; SMN2RECQLLMNA
SCHEMBL4673322 0.72 MMP1 (0.59) SMN1; SMN2LMNAMMP1MMP2MMP13
SCHEMBL4673329 0.72 MMP1 (0.59) SMN1; SMN2LMNAMMP1MMP2MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6376506-B1 REACTING SULFAMOYL OXAZOLIDONE WITH (1,2,3,4)-TETRAHYDRO-BETA-CARBOLINE TO FORM INHIBITOR; USED TO TREAT ARTHRITIS, OSTEOPOROSIS, PERIODONTAL DISEASE, CARDIOVASCULAR DISEASES, MULTIPLE SCLEROSIS, AND TUMORS SYNTEX (U.S.A.) LLC 2002-04-23 US disclosed
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