SCHEMBL4174889

SCHEMBL4174889

CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3(F)[C@@H](OC(=O)CC)C[C@@]21C.CCCCC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@H](C)[C@]2(OC(=O)CC)C(=O)COC(=O)CC)[C@@H]2CCC3=CC(=O)C=C[C@]3(C)C12F

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 7/20 0.77
▸ PGR P06401 4/20 0.77
▸ MAPT P10636 3/20 0.77
▸ ADORA3 P0DMS8 2/20 0.77
▸ NR1I2 O75469 2/20 0.77
▸ DRD2 P14416 1/20 0.77
▸ OPRD1 P41143 1/20 0.77
▸ USP2 O75604 5/20 0.68
▸ CYP3A4 P08684 5/20 0.68
▸ MEN1 O00255 1/20 0.68
▸ KMT2A Q03164 1/20 0.68
▸ HIF1A Q16665 1/20 0.66
▸ AR P10275 1/20 0.66
▸ CHRM1 P11229 1/20 0.66
▸ CNR1 P21554 1/20 0.66
▸ TBXA2R P21731 1/20 0.66
▸ LMNA P02545 3/20 0.65
▸ SMN1; SMN2 Q16637 2/20 0.65
▸ NPSR1 Q6W5P4 2/20 0.65
▸ MLNR O43193 1/20 0.65

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
SCHEMBL7271 0.99 NR3C1 (0.78) NR3C1PGRMAPTADORA3NR1I2
SCHEMBL20485505 0.99 NR3C1 (0.78) NR3C1PGRMAPTADORA3NR1I2
SCHEMBL11749891 0.98 NR3C1 (0.76) NR3C1PGRMAPTADORA3NR1I2
SCHEMBL11371970 0.96 NR3C1 (0.74) NR3C1PGRMAPTADORA3NR1I2
SCHEMBL1530974 0.96 NR3C1 (0.80) NR3C1PGRMAPTADORA3NR1I2
SCHEMBL509817 0.96 NR3C1 (0.84) NR3C1PGRMAPTADORA3NR1I2
SCHEMBL11748332 0.96 NR3C1 (0.84) NR3C1PGRMAPTADORA3NR1I2
SCHEMBL29395436 0.96 NR3C1 (0.84) NR3C1PGRMAPTADORA3NR1I2
Butyric Acid SCHEMBL4899027 0.94 NR3C1 (0.76) NR3C1PGRMAPTADORA3NR1I2
Propionic Acid SCHEMBL120209 0.94 NR3C1 (0.76) NR3C1PGRMAPTADORA3NR1I2

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-2009024964-A2 COMPOSITION AND METHOD FOR THE TREATMENT OF OTITIS EXTERNA PRIMOR NITSAN (IL) 2009-02-26 — — WO disclosed
Send feedback