SCHEMBL7098744

SCHEMBL7098744

COc1ccc(CCNC(=O)C(NC(=O)OC(C)(C)C)C(=O)NCCc2ccc(OC)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.55
CA2 P00918 3/20 0.54
KMT2A Q03164 3/20 0.53
GLA P06280 1/20 0.53
TAAR1 Q96RJ0 2/20 0.49
NPC1 O15118 1/20 0.49
GAA P10253 1/20 0.49
RAB9A P51151 1/20 0.49
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
ALDH1A1 P00352 1/20 0.48
FPR2 P25090 1/20 0.47

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
SCHEMBL8769095 0.87 CA2 (0.71) SMN1; SMN2CA2KMT2AGLA
SCHEMBL7103984 0.86 CTSK (0.60) CA2NPC1RAB9A
SCHEMBL8757522 0.85 GLA (0.67) SMN1; SMN2CA2KMT2AGLATAAR1
SCHEMBL14403609 0.83 CTSS (0.65) CA2KMT2A
SCHEMBL8019170 0.79 SMN1; SMN2 (0.56) SMN1; SMN2KMT2AGLATAAR1NPC1
SCHEMBL7104136 0.79 CYP2D6 (0.58) KMT2A
SCHEMBL5706137 0.78 PPARG (0.51) SMN1; SMN2KMT2AGLAPPARGPPARA
SCHEMBL7904484 0.77 SMN1; SMN2 (0.69) SMN1; SMN2KMT2AGLATAAR1NPC1
SCHEMBL12305803 0.76 PPARA (0.64) KMT2APPARGPPARAALDH1A1
SCHEMBL8239150 0.76 PPARA (0.64) KMT2APPARGPPARAALDH1A1

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
EP-1140818-B1 AMIDOMALONAMIDES AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEINASE AVENTIS PHARMA INC (US) 2003-09-10 EP disclosed
US-6329550-B1 FOR THERAPY OF EMPHYSEMA, OSTEOPOROSIS, RHEUMATOID ARTHRITIS AND NEOPLASTIC DISEASES AVENTIS PHARMACEUTICALS INC. 2001-12-11 US disclosed