SCHEMBL11011234

SCHEMBL11011234

CCCCCCn1nnnc1SCC1=C(C(=O)O)N2C(=O)C(NC(=O)/C(=N/OC)c3csc(N)n3)[C@H]2SC1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 5/20 0.81
▸ PGR P06401 2/20 0.81
▸ PPARG P37231 2/20 0.70
▸ SLC22A6 Q4U2R8 2/20 0.70
▸ SLC22A8 Q8TCC7 2/20 0.70
▸ SLC22A11 Q9NSA0 2/20 0.70
▸ DAO P14920 1/20 0.70
▸ SNCA P37840 1/20 0.70
▸ CYP2J2 P51589 1/20 0.70
▸ ABCC4 O15439 2/20 0.69
▸ HTR2C P28335 1/20 0.66
▸ MAPT P10636 5/20 0.63
▸ ALB P02768 1/20 0.63
▸ TDP1 Q9NUW8 7/20 0.62
▸ HSD17B10 Q99714 4/20 0.62
▸ APEX1 P27695 3/20 0.62
▸ ALDH1A1 P00352 2/20 0.62
▸ POLB P06746 2/20 0.62
▸ RECQL P46063 2/20 0.62
▸ CYP2D6 P10635 1/20 0.62

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
SCHEMBL11011238 1.00 NR1I2 (0.81) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11009951 0.95 NR1I2 (0.85) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11009955 0.95 NR1I2 (0.85) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11012329 0.94 NR1I2 (0.72) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11012334 0.94 NR1I2 (0.72) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11007957 0.93 NR1I2 (0.71) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11007959 0.93 NR1I2 (0.71) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11463469 0.93 NR1I2 (0.86) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11463468 0.93 NR1I2 (0.86) NR1I2PGRPPARGSLC22A6SLC22A8
Hydrochloric Acid SCHEMBL11481370 0.93 NR1I2 (0.85) 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 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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