SCHEMBL8502852

SCHEMBL8502852

CCCOC(=O)[C@@]1(OC(=O)C(Cl)Cl)CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 9/20 0.52
▸ NR3C1 P04150 7/20 0.52
▸ ABCB11 O95342 5/20 0.52
▸ AR P10275 4/20 0.52
▸ ADRA1A P35348 2/20 0.52
▸ NR1I2 O75469 2/20 0.52
▸ ABCC3 O15438 1/20 0.52
▸ ADORA3 P0DMS8 1/20 0.52
▸ CHRM1 P11229 1/20 0.52
▸ SLC6A2 P23975 1/20 0.52
▸ SLC6A3 Q01959 1/20 0.52
▸ KCNH2 Q12809 1/20 0.52
▸ CYP3A4 P08684 7/20 0.48
▸ F2 P00734 1/20 0.48
▸ LMNA P02545 3/20 0.47
▸ HSD17B10 Q99714 3/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ HTR1A P08908 1/20 0.47
▸ ADRA2A P08913 1/20 0.47

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
SCHEMBL8506420 0.96 PGR (0.57) PGRNR3C1ABCB11ARADRA1A
SCHEMBL8502873 0.94 PGR (0.57) PGRNR3C1ABCB11ARADRA1A
SCHEMBL8505574 0.92 PGR (0.59) PGRNR3C1ABCB11ARADRA1A
SCHEMBL8506442 0.91 ABCB11 (0.51) PGRNR3C1ABCB11ARADRA1A
SCHEMBL8505868 0.89 ABCB11 (0.50) PGRNR3C1ABCB11ARADRA1A
SCHEMBL8527279 0.89 ABCB11 (0.53) PGRNR3C1ABCB11ARADRA1A
SCHEMBL8502600 0.85 NR3C1 (0.71) PGRNR3C1ABCB11ARNR1I2
SCHEMBL8505481 0.85 PGR (0.59) PGRNR3C1ABCB11ARADRA1A
SCHEMBL11284506 0.84 PGR (0.59) PGRNR3C1ABCB11ARADRA1A
SCHEMBL8505975 0.84 PGR (0.60) PGRNR3C1ABCB11ARADRA1A

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-5981517-A FOR TREATING INFLAMMATIONS OF EYES, EARS, SKINS, INTESTINES, MOUTHS, ASTHMA, AND ARTHRITIS IN ANIMALS SOFT DRUGS, INC. (US) 1999-11-09 — — US disclosed
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