SCHEMBL11004952

SCHEMBL11004952

C=CCn1nnnc1SCC1=C(C(=O)O)N2C(=O)C(NC(=O)C(=NOCC)c3csc(N)n3)[C@@H]2SC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 4/20 0.72
▸ PGR P06401 2/20 0.72
▸ PPARG P37231 2/20 0.62
▸ SLC22A6 Q4U2R8 2/20 0.62
▸ SLC22A8 Q8TCC7 2/20 0.62
▸ SLC22A11 Q9NSA0 2/20 0.62
▸ DAO P14920 1/20 0.62
▸ SNCA P37840 1/20 0.62
▸ CYP2J2 P51589 1/20 0.62
▸ ABCC4 O15439 2/20 0.61
▸ L3MBTL1 Q9Y468 2/20 0.60
▸ TDP1 Q9NUW8 6/20 0.59
▸ LMNA P02545 2/20 0.59
▸ APAF1 O14727 2/20 0.59
▸ APEX1 P27695 2/20 0.59
▸ TSHR P16473 1/20 0.59
▸ PLCG1 P19174 1/20 0.59
▸ ABCC2 Q92887 1/20 0.59
▸ SIRT5 Q9NXA8 1/20 0.59
▸ HTR2C P28335 1/20 0.59

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
SCHEMBL11004940 1.00 NR1I2 (0.72) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11008104 0.95 NR1I2 (0.68) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11008108 0.95 NR1I2 (0.68) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11006787 0.95 NR1I2 (0.70) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11005201 0.95 NR1I2 (0.70) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11006780 0.95 NR1I2 (0.70) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11005206 0.95 NR1I2 (0.70) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11005011 0.95 NR1I2 (0.68) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11005006 0.95 NR1I2 (0.68) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11005218 0.95 NR1I2 (0.70) NR1I2PGRPPARGSLC22A6SLC22A8

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
US-4493833-A BACTERICIDES, ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-01-15 — — US claimed
JP-55033500-A — — None — — JP disclosed
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
JP-S5533500-A 3,7-DISUBSTITUTED-3-CEPHEM-4-CARBOXYLIC ACID, ITS SALT, THEIR PREPARATION, AND PREVENTIVE AND REMEDY FOR MICROBISM FUJISAWA PHARMACEUT CO LTD 1980-03-08 — — JP disclosed
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