SCHEMBL30514280

SCHEMBL30514280

CNC(=O)C(Cc1ccccc1)NC(=O)CBr

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 13/20 0.61
FCER2 P06734 2/20 0.61
MMP2 P08253 13/20 0.56
MMP3 P08254 8/20 0.56
MMP8 P22894 5/20 0.56
MMP9 P14780 3/20 0.56
MMP7 P09237 3/20 0.56
CTSL P07711 1/20 0.53
CTSB P07858 1/20 0.53
CTSS P25774 1/20 0.53

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
SCHEMBL25000564 0.86 MMP1 (0.63) MMP1FCER2MMP2MMP3MMP8
SCHEMBL25139508 0.86 MMP1 (0.63) MMP1FCER2MMP2MMP3MMP8
SCHEMBL9502323 0.84 LTA4H (0.57)
SCHEMBL9503483 0.84 LTA4H (0.57)
SCHEMBL21988101 0.84 MMP1 (0.63) MMP1FCER2MMP2MMP3MMP8
SCHEMBL6427435 0.84 MME (0.59)
SCHEMBL6427433 0.84 MME (0.59)
SCHEMBL13956887 0.84 PSMB5 (0.67) MMP1FCER2MMP2MMP3MMP8
SCHEMBL7066966 0.84 MMP1 (0.61) MMP1FCER2MMP2MMP3MMP8
SCHEMBL7066963 0.84 MMP1 (0.61) MMP1FCER2MMP2MMP3MMP8

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
CN-116507329-A Novel small molecule compounds for controlling endosomal Toll-like receptor and therapeutic agent for autoimmune disease using the same S和K 疗法公司 2023-07-28 CN disclosed