SCHEMBL11009334

SCHEMBL11009334

CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(C)CS[C@@H]12)c1csnn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 6/20 0.57
▸ HTR2C P28335 1/20 0.57
▸ MAPT P10636 3/20 0.55
▸ PPARG P37231 2/20 0.55
▸ SLC22A6 Q4U2R8 2/20 0.55
▸ SLC22A8 Q8TCC7 2/20 0.55
▸ SLC22A11 Q9NSA0 2/20 0.55
▸ ALB P02768 1/20 0.55
▸ PTGS1 P23219 1/20 0.54
▸ PGR P06401 4/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ POLB P06746 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ PTGS2 P35354 1/20 0.51
▸ MAPK1 P28482 1/20 0.49
▸ DAO P14920 1/20 0.48
▸ SNCA P37840 1/20 0.48

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
SCHEMBL11009331 1.00 NR1I2 (0.57) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL11009440 0.86 NR1I2 (0.75) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL29569065 0.86 NR1I2 (0.59) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL11009937 0.85 TDP1 (0.68) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL11009945 0.85 TDP1 (0.68) NR1I2HTR2CMAPTPPARGSLC22A6
Cefetamet SCHEMBL10587831 0.84 NR1I2 (0.79) NR1I2HTR2CMAPTPPARGSLC22A6
Cefetamet SCHEMBL65620 0.84 NR1I2 (0.79) NR1I2HTR2CMAPTPPARGSLC22A6
Cefetamet SCHEMBL9367206 0.84 NR1I2 (0.79) NR1I2HTR2CMAPTPPARGSLC22A6
Cefetamet SCHEMBL151099 0.84 NR1I2 (0.79) NR1I2HTR2CMAPTPPARGSLC22A6
Cefetamet SCHEMBL10587826 0.84 NR1I2 (0.79) NR1I2HTR2CMAPTPPARGSLC22A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-53053691-A — — None — — JP disclosed
US-4544751-A BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-10-01 — — US disclosed
US-4350693-A BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-09-21 — — US disclosed
US-4263291-A CEPHALOSPORIN ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-04-21 — — US disclosed
JP-S5353691-A 3,7-DI-SUBSTITUTED-3-CEPHEM-4 CARBOXYLIC ACID DERIVATIVES, THEIR SALTS ANDTHEIR PREPARATION FUJISAWA PHARMACEUT CO LTD 1978-05-16 — — JP disclosed
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