SCHEMBL8505574

SCHEMBL8505574

C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(OC(=O)C(Cl)Cl)C(=O)OCCl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 9/20 0.59
▸ NR3C1 P04150 6/20 0.59
▸ ABCB11 O95342 5/20 0.59
▸ NR1I2 O75469 2/20 0.59
▸ ABCC3 O15438 1/20 0.59
▸ AR P10275 4/20 0.51
▸ CYP3A4 P08684 7/20 0.50
▸ HSD17B10 Q99714 4/20 0.50
▸ LMNA P02545 3/20 0.50
▸ ADRA1A P35348 2/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ HTR1A P08908 1/20 0.50
▸ ADRA2A P08913 1/20 0.50
▸ F2 P00734 1/20 0.49
▸ ADORA3 P0DMS8 1/20 0.48
▸ CHRM1 P11229 1/20 0.48
▸ SLC6A2 P23975 1/20 0.48
▸ SLC6A3 Q01959 1/20 0.48
▸ KCNH2 Q12809 1/20 0.48

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
SCHEMBL8502873 0.94 PGR (0.57) PGRNR3C1ABCB11NR1I2ABCC3
SCHEMBL8502852 0.92 PGR (0.52) PGRNR3C1ABCB11NR1I2ABCC3
SCHEMBL8506442 0.92 ABCB11 (0.51) PGRNR3C1ABCB11NR1I2ABCC3
SCHEMBL8506420 0.92 PGR (0.57) PGRNR3C1ABCB11NR1I2ABCC3
SCHEMBL8505975 0.91 PGR (0.60) PGRNR3C1ABCB11NR1I2ABCC3
SCHEMBL8505868 0.91 ABCB11 (0.50) PGRNR3C1ABCB11NR1I2ABCC3
SCHEMBL8527279 0.90 ABCB11 (0.53) PGRNR3C1ABCB11NR1I2ABCC3
SCHEMBL8505481 0.85 PGR (0.59) PGRNR3C1ABCB11NR1I2ABCC3
SCHEMBL7609828 0.85 NR3C1 (0.81) PGRNR3C1ABCB11NR1I2ABCC3
SCHEMBL8502593 0.84 ABCB11 (0.60) PGRNR3C1ABCB11NR1I2ABCC3

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
Send feedback