SCHEMBL29633569

SCHEMBL29633569

C[C@@H](NS(=O)(=O)O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 1/20 0.44
HTT P42858 1/20 0.43
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MMP7 P09237 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42
CA14 Q9ULX7 2/20 0.39
TP53 P04637 1/20 0.36
CA2 P00918 4/20 0.35
CA1 P00915 3/20 0.35
RAB9A P51151 1/20 0.32
MME P08473 1/20 0.32
ACE P12821 1/20 0.32
CPA1 P15085 1/20 0.32
ACE2 Q9BYF1 1/20 0.32
CA12 O43570 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL725182 1.00 ADAMTS4 (0.44) ADAMTS4HTTMMP1MMP2MMP3
SCHEMBL5148621 1.00 ADAMTS4 (0.44) ADAMTS4HTTMMP1MMP2MMP3
SCHEMBL30679200 0.97 ADAMTS4 (0.43) ADAMTS4HTTMMP1MMP2MMP3
Water SCHEMBL30998789 0.97 ADAMTS4 (0.43) ADAMTS4HTTMMP1MMP2MMP3
Water SCHEMBL31419522 0.97 ADAMTS4 (0.43) ADAMTS4HTTMMP1MMP2MMP3
SCHEMBL30464710 0.97 ADAMTS4 (0.43) ADAMTS4HTTMMP1MMP2MMP3
SCHEMBL13612447 0.82 ADAMTS4 (0.43) ADAMTS4HTTMMP1MMP2MMP3
SCHEMBL8830384 0.80 ADAMTS4 (0.42) ADAMTS4HTTMMP1MMP2MMP3
SCHEMBL18047580 0.79 ADAMTS4 (0.44) ADAMTS4HTTMMP1MMP2MMP3
SCHEMBL697449 0.79 ADAMTS4 (0.44) ADAMTS4HTTMMP1MMP2MMP3

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
CN-118715214-A 3- ((3- ([ 1,1' -Biphenyl ] -3-ylmethoxy) -phenoxy) methyl) benzonitrile derivative and application thereof 赫姆霍兹-森德拉姆德雷斯顿-罗森多夫研究中心 2024-09-27 CN disclosed
CN-115089722-A Delivery system for controlled drug release 森托瑞恩生物制药公司 2022-09-23 CN disclosed
CN-107922457-B Delivery system for controlled drug release 森托瑞恩生物制药公司 2022-05-13 CN disclosed