SCHEMBL21569933

SCHEMBL21569933

CCCC1O[C@@H]2CC3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)COC(=O)NCCSC)O1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 13/20 0.60
▸ PGR P06401 4/20 0.60
▸ HIF1A Q16665 3/20 0.60
▸ LMNA P02545 3/20 0.60
▸ AR P10275 2/20 0.60
▸ ALDH1A1 P00352 1/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ CYP3A4 P08684 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ ESR1 P03372 1/20 0.53

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
SCHEMBL21570003 0.93 NR3C1 (0.58) NR3C1PGRHIF1ALMNAAR
SCHEMBL24591787 0.93 NR3C1 (0.58) NR3C1PGRHIF1ALMNAAR
SCHEMBL21152658 0.93 NR3C1 (0.60) NR3C1PGRHIF1ALMNAAR
SCHEMBL21152864 0.93 NR3C1 (0.60) NR3C1PGRHIF1ALMNAAR
SCHEMBL21153641 0.93 NR3C1 (0.60) NR3C1PGRHIF1ALMNAAR
SCHEMBL21152814 0.90 NR3C1 (0.56) NR3C1PGRHIF1ALMNAAR
SCHEMBL21153614 0.89 NR3C1 (0.54) NR3C1PGRHIF1ALMNAAR
SCHEMBL21153612 0.89 NR3C1 (0.54) NR3C1PGRHIF1ALMNAAR
SCHEMBL21153731 0.89 NR3C1 (0.58) NR3C1PGRHIF1ALMNAAR
SCHEMBL21153166 0.89 NR3C1 (0.66) NR3C1PGRHIF1ALMNAAR

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
WO-2019217591-A1 ANTI-MSR1 ANTIBODIES AND METHODS OF USE THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2019-11-14 — — WO disclosed
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