SCHEMBL11005268

SCHEMBL11005268

CC(C)(C)OC(=O)CO/N=C(\C(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nncs3)CS[C@H]12)c1csc(N)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 6/20 0.63
▸ PGR P06401 3/20 0.63
▸ HTR2C P28335 1/20 0.60
▸ PPARG P37231 3/20 0.60
▸ SLC22A6 Q4U2R8 2/20 0.60
▸ SLC22A8 Q8TCC7 2/20 0.60
▸ SLC22A11 Q9NSA0 2/20 0.60
▸ DAO P14920 1/20 0.60
▸ SNCA P37840 1/20 0.60
▸ CYP2J2 P51589 1/20 0.60
▸ ABCC4 O15439 1/20 0.59
▸ MAPT P10636 3/20 0.58
▸ ALB P02768 1/20 0.58
▸ TDP1 Q9NUW8 6/20 0.57
▸ APAF1 O14727 2/20 0.57
▸ APEX1 P27695 2/20 0.57
▸ LMNA P02545 1/20 0.57
▸ TSHR P16473 1/20 0.57
▸ PLCG1 P19174 1/20 0.57
▸ ABCC2 Q92887 1/20 0.57

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
SCHEMBL11005287 1.00 NR1I2 (0.63) NR1I2PGRHTR2CPPARGSLC22A6
SCHEMBL11007651 0.92 NR1I2 (0.63) NR1I2PGRHTR2CPPARGSLC22A6
SCHEMBL11007634 0.92 NR1I2 (0.63) NR1I2PGRHTR2CPPARGSLC22A6
SCHEMBL11008242 0.92 TDP1 (0.68) NR1I2PGRHTR2CPPARGSLC22A6
SCHEMBL11008235 0.92 TDP1 (0.68) NR1I2PGRHTR2CPPARGSLC22A6
SCHEMBL11009092 0.91 NR1I2 (0.67) NR1I2PGRHTR2CPPARGSLC22A6
SCHEMBL11009088 0.91 NR1I2 (0.67) NR1I2PGRHTR2CPPARGSLC22A6
Hydrochloric Acid SCHEMBL9658324 0.90 NR1I2 (0.76) NR1I2PGRHTR2CPPARGSLC22A6
Hydrochloric Acid SCHEMBL9658329 0.90 NR1I2 (0.76) NR1I2PGRHTR2CPPARGSLC22A6
SCHEMBL10976311 0.90 NR1I2 (0.65) NR1I2PGRHTR2CPPARGSLC22A6

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
US-4493833-A BACTERICIDES, ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-01-15 — — US disclosed
US-4304770-A Syn-isomer of 3,7-disubstituted-3-cephem-4-carboxylic acid compounds and processes for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-12-08 — — US disclosed
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