SCHEMBL4659044

SCHEMBL4659044

C[C@H](C(=O)O)c1ccccc1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 2/20 0.63
PTGS2 P35354 4/20 0.47
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP12 P39900 1/20 0.46
MMP13 P45452 1/20 0.46
MMP14 P50281 1/20 0.46
MMP16 P51512 1/20 0.46
ACP3 P15309 1/20 0.46
GLS O94925 3/20 0.46
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
PTGS1 P23219 2/20 0.45
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL663906 1.00 CXCL8 (0.63) CXCL8PTGS2MMP1MMP2MMP9
SCHEMBL29718684 1.00 CXCL8 (0.63) CXCL8PTGS2MMP1MMP2MMP9
SCHEMBL5672222 1.00 CXCL8 (0.63) CXCL8PTGS2MMP1MMP2MMP9
SCHEMBL15695552 0.88 CXCL8 (0.50) CXCL8ACP3GLSADRB2ADRB1
SCHEMBL16798960 0.88 CXCL8 (0.50) CXCL8ACP3GLSADRB2ADRB1
SCHEMBL16023820 0.88 CXCL8 (0.50) CXCL8ACP3GLSADRB2ADRB1
SCHEMBL27603271 0.85 CXCL8 (0.47) CXCL8ACP3GLSADRB2ADRB1
SCHEMBL2204495 0.84 PTGS2 (0.56) CXCL8PTGS2MMP1MMP2MMP9
SCHEMBL15568192 0.84 CXCL8 (0.59) CXCL8PTGS2MMP1MMP2MMP9
SCHEMBL15568736 0.84 CXCL8 (0.59) CXCL8PTGS2MMP1MMP2MMP9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114835688-A Substituted 4-aryl imidazole-2-ketone derivative and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2022-08-02 CN disclosed
EP-2004789-A1 A STABILIZED LIQUID ENZYME COMPOSITION Novozymes A/S (DK) 2008-12-24 EP disclosed
WO-2007113241-A1 A STABILIZED LIQUID ENZYME COMPOSITION NOVOZYMES A/S (DK) 2007-10-11 WO disclosed
WO-1996002492-A1 METHOD OF MAKING A BENZYLPROPANAMINE NSP PHARMACEUTICALS, INC. (US) 1996-02-01 WO disclosed