SCHEMBL11109161

SCHEMBL11109161

Cn1nnnc1SCC1=C(C(=O)O)N2C(=O)C(NC(=O)/C(=N\OC3CCCC3)c3csc(N)n3)[C@H]2SC1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 5/20 0.84
▸ PGR P06401 3/20 0.84
▸ PPARG P37231 3/20 0.65
▸ SLC22A6 Q4U2R8 3/20 0.65
▸ SLC22A8 Q8TCC7 3/20 0.65
▸ SLC22A11 Q9NSA0 3/20 0.65
▸ DAO P14920 1/20 0.65
▸ SNCA P37840 1/20 0.65
▸ CYP2J2 P51589 1/20 0.65
▸ ABCC4 O15439 1/20 0.64
▸ HTR2C P28335 1/20 0.60
▸ TDP1 Q9NUW8 5/20 0.59
▸ MAPT P10636 4/20 0.59
▸ HSD17B10 Q99714 2/20 0.59
▸ ALDH1A1 P00352 2/20 0.59
▸ POLB P06746 2/20 0.59
▸ APEX1 P27695 2/20 0.59
▸ CYP2D6 P10635 1/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ RECQL P46063 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
SCHEMBL11109175 1.00 NR1I2 (0.84) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL9702948 0.97 NR1I2 (0.86) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL9702941 0.97 NR1I2 (0.86) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10808140 0.94 NR1I2 (0.84) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10808148 0.94 NR1I2 (0.84) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10810076 0.94 NR1I2 (0.84) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10831976 0.93 NR1I2 (0.73) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11248130 0.93 NR1I2 (0.72) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11248116 0.93 NR1I2 (0.72) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11179803 0.92 NR1I2 (0.71) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4431643-A CEPHALOSPORINS; BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-02-14 — — US claimed
US-4431643-A CEPHALOSPORINS; BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-02-14 — — US disclosed
US-4331664-A BACTERIOSTATS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-05-25 — — US disclosed
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