SCHEMBL3387728

SCHEMBL3387728

CC[N]c1ccccc1C(C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCL8 P10145 3/20 0.41
▸ MMP2 P08253 2/20 0.41
▸ MMP9 P14780 2/20 0.41
▸ MMP8 P22894 2/20 0.41
▸ MMP12 P39900 2/20 0.41
▸ MMP13 P45452 2/20 0.41
▸ MMP14 P50281 2/20 0.41
▸ MMP16 P51512 2/20 0.41
▸ MMP1 P03956 1/20 0.41
▸ PTGS2 P35354 8/20 0.41
▸ PTGS1 P23219 5/20 0.40
▸ TSHR P16473 2/20 0.39
▸ NOS3 P29474 3/20 0.36
▸ NOS1 P29475 3/20 0.36
▸ NOS2 P35228 3/20 0.36
▸ MMP3 P08254 1/20 0.36
▸ CXCR1 P25024 3/20 0.36
▸ CXCR2 P25025 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL2114086 0.80 PTGS2 (0.44) CXCL8MMP2MMP9MMP8MMP12
SCHEMBL2204495 0.77 PTGS2 (0.56) CXCL8MMP2MMP9MMP8MMP12
SCHEMBL7475089 0.75 MIF (0.42) CXCL8MMP2MMP9MMP8MMP12
SCHEMBL30222272 0.74 PTGS2 (0.46) CXCL8MMP2MMP9MMP8MMP12
SCHEMBL5983552 0.74 PTGS2 (0.46) CXCL8MMP2MMP9MMP8MMP12
SCHEMBL5112475 0.74 PTGS2 (0.46) CXCL8MMP2MMP9MMP8MMP12
SCHEMBL7822153 0.73 PTGS2 (0.44) CXCL8MMP2MMP9MMP8MMP12
SCHEMBL1343676 0.71 PTGS2 (0.50) CXCL8MMP2MMP9MMP8MMP12
SCHEMBL18797642 0.71 PTGS2 (0.50) CXCL8MMP2MMP9MMP8MMP12
SCHEMBL28158526 0.70 L3MBTL1 (0.56) PTGS2PTGS1MAPTKDM4EALDH1A1

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
WO-2010054068-A2 CYCLIC ADENOSINE MONOPHOSPHATES FOR REDUCING THE FORMATION OF ADHESIONS UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2010-05-14 — — WO disclosed
Send feedback