SCHEMBL28829588

SCHEMBL28829588

O=COc1ccccc1CC(=O)Cl

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CXCL8 P10145 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CHRM1 P11229 1/20 0.38
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ TTR P02766 1/20 0.34
▸ FABP4 P15090 1/20 0.34
▸ FABP5 Q01469 1/20 0.34
▸ TAAR1 Q96RJ0 1/20 0.34
▸ CAMK2A Q9UQM7 1/20 0.34

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
SCHEMBL3036255 0.84 CXCL8 (0.56) CXCL8L3MBTL1CHRM1PTGDR2FABP4
SCHEMBL642278 0.78 LMNA (0.54) MEN1KMT2AMAPTTSHRTTR
SCHEMBL30118919 0.78 LMNA (0.54) MEN1KMT2AMAPTTSHRTTR
SCHEMBL543497 0.77 EPHX1 (0.41) L3MBTL1CHRM1MAPTPTGDR2HTT
SCHEMBL6767819 0.76 AKR1B1 (0.46) CXCL8TTR
SCHEMBL7685111 0.75 PTGS2 (0.49) CXCL8L3MBTL1MAPTTSHR
SCHEMBL2525348 0.75 L3MBTL1 (0.56) L3MBTL1MEN1KMT2AMAPTTSHR
SCHEMBL31112746 0.75 PTGS2 (0.49) CXCL8L3MBTL1MAPTTSHR
SCHEMBL2096860 0.75 L3MBTL1 (0.50) L3MBTL1CHRM1KMT2AMAPTTSHR
SCHEMBL20777752 0.74 KCNJ5 (0.44) CXCL8L3MBTL1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105646540-B Cefamandole nafate for reducing anaphylaxis and preparation thereof 重庆福安药业集团庆余堂制药有限公司 2017-02-15 — — CN disclosed
CN-105646540-A Cefamandole nafate for reducing anaphylaxis and preparation thereof 重庆福安药业集团庆余堂制药有限公司 2016-06-08 — — CN disclosed
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