SCHEMBL8423285

SCHEMBL8423285

COc1ccc(SC2(N(O)C(C)=O)CCN(C(=O)OCc3ccccc3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.47
SCN9A Q15858 1/20 0.47
MMP9 P14780 4/20 0.45
MMP1 P03956 3/20 0.45
MMP3 P08254 3/20 0.45
MMP7 P09237 2/20 0.45
MMP2 P08253 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 1/20 0.44
KDM1A O60341 2/20 0.44
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
APP P05067 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
GRIN2B Q13224 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
SCHEMBL7303615 0.81 SCN5A (0.49) SCN5ASCN9AMMP9MMP1MMP3
SCHEMBL7308906 0.78 MMP9 (0.51) SCN5ASCN9AMMP9MMP1MMP3
SCHEMBL8425309 0.76 CYP3A4 (0.39) MEN1KMT2ASMN1; SMN2NPC1CYP2C19
SCHEMBL8315425 0.76 OPRD1 (0.54) SCN5ASCN9AMMP9MMP1MMP3
SCHEMBL12050043 0.72 SCN5A (0.50) SCN5ASCN9AMMP9MMP1MMP3
SCHEMBL7308120 0.71 OPRK1 (0.47) SCN5ASCN9AKDM1AMEN1KMT2A
SCHEMBL2592306 0.71 MEN1 (0.59) SCN5ASCN9AKDM1AMEN1KMT2A
SCHEMBL24199876 0.71 SIGMAR1 (0.68) KDM1ACYP2D6TSHRHTT
SCHEMBL12050040 0.71 HTT (0.49) SCN5ASCN9AMMP9MMP1MMP3
SCHEMBL6608659 0.70 SCN5A (0.52) SCN5ASCN9AMMP9MMP1MMP3

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-5932595-A ANTIARTHRITIC AGENT; MULTIPLE SCLEROSIS; OSTEOPOROSIS; RESPIRATORY SYSTEM DISORDERS; SKIN DISORDERS; ANTIULCER AGENT SYNTEX (U.S.A.) INC. (US) 1999-08-03 US disclosed