SCHEMBL11230313

SCHEMBL11230313

CCC(=O)O[C@]1(C(=O)SCCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 7/20 0.81
▸ PGR P06401 7/20 0.81
▸ CYP3A4 P08684 6/20 0.81
▸ USP2 O75604 5/20 0.81
▸ NR1I2 O75469 3/20 0.81
▸ LMNA P02545 2/20 0.81
▸ MAPT P10636 2/20 0.81
▸ MLNR O43193 1/20 0.81
▸ ABCB11 O95342 1/20 0.81
▸ CYP3A5 P20815 1/20 0.81
▸ PPARG P37231 1/20 0.81
▸ SMN1; SMN2 Q16637 1/20 0.81
▸ NPSR1 Q6W5P4 1/20 0.81
▸ CYP2D6 P10635 1/20 0.81
▸ CYP2C9 P11712 1/20 0.81
▸ ADORA3 P0DMS8 4/20 0.75
▸ DRD2 P14416 1/20 0.75
▸ OPRD1 P41143 1/20 0.75
▸ MEN1 O00255 1/20 0.68
▸ KMT2A Q03164 1/20 0.68

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
SCHEMBL11223884 1.00 NR3C1 (0.81) NR3C1PGRCYP3A4USP2NR1I2
SCHEMBL11226115 0.94 NR3C1 (0.72) NR3C1PGRCYP3A4USP2NR1I2
SCHEMBL11223602 0.93 NR3C1 (0.78) NR3C1PGRCYP3A4USP2NR1I2
SCHEMBL11232753 0.93 NR3C1 (0.78) NR3C1PGRCYP3A4USP2NR1I2
SCHEMBL11223809 0.93 NR3C1 (0.70) NR3C1PGRCYP3A4USP2NR1I2
SCHEMBL11236331 0.92 NR3C1 (0.75) NR3C1PGRCYP3A4USP2NR1I2
SCHEMBL10873405 0.90 NR3C1 (0.83) NR3C1PGRCYP3A4USP2NR1I2
SCHEMBL9835214 0.90 NR3C1 (0.83) NR3C1PGRCYP3A4USP2NR1I2
SCHEMBL11238945 0.90 NR3C1 (0.66) NR3C1PGRCYP3A4USP2NR1I2
SCHEMBL11233362 0.90 CYP3A4 (0.76) NR3C1PGRCYP3A4USP2NR1I2

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-4335121-A TOPICAL ANTIINFLAMMATORY AGENTS GLAXO GROUP LIMITED (GB) 1982-06-15 — — US disclosed
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