SCHEMBL9413831

SCHEMBL9413831

CC(C)(C)OC(=O)CO/N=C(\C(=O)NC1C(=O)N2C(C(=O)O)=C(CCl)CS[C@@H]12)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 6/20 0.51
▸ HTR2C P28335 1/20 0.51
▸ PPARG P37231 3/20 0.49
▸ MAPT P10636 3/20 0.49
▸ SLC22A6 Q4U2R8 2/20 0.49
▸ SLC22A8 Q8TCC7 2/20 0.49
▸ SLC22A11 Q9NSA0 2/20 0.49
▸ ALB P02768 1/20 0.49
▸ TDP1 Q9NUW8 7/20 0.48
▸ APEX1 P27695 3/20 0.48
▸ APAF1 O14727 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ PLCG1 P19174 1/20 0.48
▸ ABCC2 Q92887 1/20 0.48
▸ SIRT5 Q9NXA8 1/20 0.48
▸ PSMD14 O00487 1/20 0.47
▸ MMP2 P08253 1/20 0.47
▸ KMT2A Q03164 1/20 0.47

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
SCHEMBL9413830 1.00 NR1I2 (0.51) NR1I2HTR2CPPARGMAPTSLC22A6
SCHEMBL10993033 0.94 NR1I2 (0.51) NR1I2HTR2CPPARGMAPTSLC22A6
SCHEMBL10993022 0.94 NR1I2 (0.51) NR1I2HTR2CPPARGMAPTSLC22A6
SCHEMBL10953548 0.94 NR1I2 (0.51) NR1I2HTR2CPPARGMAPTSLC22A6
SCHEMBL5712680 0.92 PTGS1 (0.43) NR1I2HTR2CPPARGMAPTSLC22A6
SCHEMBL5712682 0.92 PTGS1 (0.43) NR1I2HTR2CPPARGMAPTSLC22A6
SCHEMBL8759745 0.91 NR1I2 (0.53) NR1I2HTR2CPPARGMAPTSLC22A6
SCHEMBL10365807 0.91 NR1I2 (0.53) NR1I2HTR2CPPARGMAPTSLC22A6
SCHEMBL10365805 0.91 NR1I2 (0.53) NR1I2HTR2CPPARGMAPTSLC22A6
SCHEMBL8356707 0.91 NR1I2 (0.53) NR1I2HTR2CPPARGMAPTSLC22A6

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
EP-0582261-A1 Cephalosporin compounds and processes for the preparation thereof LUCKY LTD. (KR) 1994-02-09 — — EP disclosed
US-4500526-A ANTIBIOTICS, BACTERICIDES BRISTOL-MYERS COMPANY (US) 1985-02-19 — — US disclosed
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