SCHEMBL9633120

SCHEMBL9633120

CC(C)(C)OC(=O)C1=C(CI)CS[C@@H]2C(NC(=O)/C(=N\OC(C)(C)C(=O)OC(C)(C)C)c3csc(NC(c4ccccc4)(c4ccccc4)c4ccccc4)n3)C(=O)N12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 6/20 0.51
▸ PPARG P37231 3/20 0.51
▸ PGR P06401 3/20 0.51
▸ ESR1 P03372 2/20 0.51
▸ TDP1 Q9NUW8 4/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ HTR2C P28335 1/20 0.47
▸ MAPT P10636 4/20 0.46
▸ SLC22A6 Q4U2R8 2/20 0.46
▸ SLC22A8 Q8TCC7 2/20 0.46
▸ SLC22A11 Q9NSA0 2/20 0.46
▸ ALB P02768 1/20 0.46
▸ KMT2A Q03164 1/20 0.45
▸ CTDSP1 Q9GZU7 1/20 0.45
▸ PTGS1 P23219 2/20 0.44
▸ ABCB11 O95342 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ APEX1 P27695 2/20 0.42
▸ ABCC4 O15439 2/20 0.42

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
SCHEMBL9633126 1.00 NR1I2 (0.51) NR1I2PPARGPGRESR1TDP1
SCHEMBL10805534 0.96 NR1I2 (0.52) NR1I2PPARGPGRESR1TDP1
SCHEMBL9573648 0.96 NR1I2 (0.52) NR1I2PPARGPGRESR1TDP1
SCHEMBL9573659 0.96 NR1I2 (0.52) NR1I2PPARGPGRESR1TDP1
SCHEMBL10805334 0.93 NR1I2 (0.47) NR1I2PPARGPGRESR1TDP1
SCHEMBL11096971 0.93 MAPT (0.56) NR1I2PPARGPGRESR1TDP1
SCHEMBL11094997 0.93 MAPT (0.56) NR1I2PPARGPGRESR1TDP1
SCHEMBL10797976 0.92 NR1I2 (0.54) NR1I2PPARGPGRESR1TDP1
SCHEMBL9743426 0.92 NR1I2 (0.54) NR1I2PPARGPGRESR1TDP1
SCHEMBL9204298 0.90 NR1I2 (0.51) NR1I2PPARGPGRESR1TDP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5079241-A Improved pharmokinetic properties, high plasma concentration SANOFI (FR) 1992-01-07 — — US disclosed
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