SCHEMBL11011104

SCHEMBL11011104

CCO/N=C(\C(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nncs3)CS[C@H]12)c1csc(NC=O)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 4/20 0.54
▸ PGR P06401 2/20 0.54
▸ SLC22A6 Q4U2R8 3/20 0.52
▸ SLC22A8 Q8TCC7 3/20 0.52
▸ SLC22A11 Q9NSA0 3/20 0.52
▸ PPARG P37231 2/20 0.52
▸ DAO P14920 1/20 0.52
▸ SNCA P37840 1/20 0.52
▸ CYP2J2 P51589 1/20 0.52
▸ HTR2C P28335 1/20 0.51
▸ ABCC4 O15439 1/20 0.51
▸ MAPT P10636 4/20 0.49
▸ ALB P02768 1/20 0.49
▸ KMT2A Q03164 1/20 0.48
▸ TDP1 Q9NUW8 5/20 0.48
▸ APAF1 O14727 2/20 0.48
▸ APEX1 P27695 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ PLCG1 P19174 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
SCHEMBL11011108 1.00 NR1I2 (0.54) NR1I2PGRSLC22A6SLC22A8SLC22A11
SCHEMBL11015681 0.94 NR1I2 (0.52) NR1I2PGRSLC22A6SLC22A8SLC22A11
SCHEMBL11008648 0.94 NR1I2 (0.52) NR1I2PGRSLC22A6SLC22A8SLC22A11
SCHEMBL11008649 0.94 NR1I2 (0.52) NR1I2PGRSLC22A6SLC22A8SLC22A11
SCHEMBL11015679 0.94 NR1I2 (0.52) NR1I2PGRSLC22A6SLC22A8SLC22A11
SCHEMBL11014737 0.94 NR1I2 (0.53) NR1I2PGRSLC22A6SLC22A8SLC22A11
SCHEMBL11014717 0.94 NR1I2 (0.53) NR1I2PGRSLC22A6SLC22A8SLC22A11
SCHEMBL9659561 0.93 NR1I2 (0.62) NR1I2PGRSLC22A6SLC22A8SLC22A11
SCHEMBL9659555 0.93 NR1I2 (0.62) NR1I2PGRSLC22A6SLC22A8SLC22A11
SCHEMBL11010553 0.93 NR1I2 (0.52) NR1I2PGRSLC22A6SLC22A8SLC22A11

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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