SCHEMBL11278235

SCHEMBL11278235

Cn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)C(=NOCC(=O)O)c3csc(=N)n3O)[C@@H]2SC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 3/20 0.66
▸ PGR P06401 3/20 0.66
▸ PPARG P37231 2/20 0.56
▸ SLC22A6 Q4U2R8 2/20 0.56
▸ SLC22A8 Q8TCC7 2/20 0.56
▸ SLC22A11 Q9NSA0 2/20 0.56
▸ POLB P06746 10/20 0.55
▸ MAPT P10636 9/20 0.55
▸ ALDH1A1 P00352 5/20 0.55
▸ CTDSP1 Q9GZU7 2/20 0.55
▸ TDP1 Q9NUW8 11/20 0.54
▸ HTT P42858 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ DAO P14920 1/20 0.50
▸ SNCA P37840 1/20 0.50
▸ CYP2J2 P51589 1/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ ABCC4 O15439 1/20 0.49
▸ HSD17B10 Q99714 3/20 0.49
▸ APEX1 P27695 2/20 0.49

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
SCHEMBL11283260 0.94 NR1I2 (0.67) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11276890 0.93 NR1I2 (0.66) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11271387 0.93 NR1I2 (0.74) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11280701 0.87 CTDSP1 (0.59) NR1I2PGRSLC22A6SLC22A8SLC22A11
SCHEMBL11285633 0.87 NR1I2 (0.75) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11275691 0.86 NR1I2 (0.72) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11004971 0.86 NR1I2 (0.88) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL11004976 0.86 NR1I2 (0.88) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10939435 0.86 NR1I2 (0.70) NR1I2PGRPPARGSLC22A6SLC22A8
SCHEMBL10939443 0.86 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4358448-A ANTIBIOTICS FARMITALIA CARLO ERBA S.P.A. (IT) 1982-11-09 — — US claimed
US-4358448-A ANTIBIOTICS FARMITALIA CARLO ERBA S.P.A. (IT) 1982-11-09 — — US disclosed
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