SCHEMBL9487598

SCHEMBL9487598

C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(O)C[C@@]2(C)[C@H]1CC[C@]2(O)[C@H](O)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 11/20 0.66
HIF1A Q16665 5/20 0.66
PGR P06401 5/20 0.66
HSD17B10 Q99714 2/20 0.66
ABCB11 O95342 2/20 0.66
CYP3A4 P08684 2/20 0.66
TNF P01375 1/20 0.66
IL6 P05231 1/20 0.66
SERPINA6 P08185 1/20 0.66
NR3C2 P08235 1/20 0.66
AR P10275 1/20 0.66
GLUL P15104 1/20 0.66
ADAM17 P78536 1/20 0.66
GPBAR1 Q8TDU6 1/20 0.66
CYP2C19 P33261 1/20 0.66
LMNA P02545 4/20 0.58
NR1I2 O75469 2/20 0.58
CNR1 P21554 1/20 0.58
ABCC3 O15438 1/20 0.54
USP2 O75604 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
SCHEMBL9487586 1.00 NR3C1 (0.66) NR3C1HIF1APGRHSD17B10ABCB11
SCHEMBL10526560 1.00 NR3C1 (0.66) NR3C1HIF1APGRHSD17B10ABCB11
SCHEMBL9015066 1.00 NR3C1 (0.66) NR3C1HIF1APGRHSD17B10ABCB11
SCHEMBL10526554 1.00 NR3C1 (0.66) NR3C1HIF1APGRHSD17B10ABCB11
SCHEMBL9015081 1.00 NR3C1 (0.66) NR3C1HIF1APGRHSD17B10ABCB11
SCHEMBL10333733 0.90 PGR (0.63) NR3C1HIF1APGRHSD17B10ABCB11
SCHEMBL10333731 0.90 PGR (0.63) NR3C1HIF1APGRHSD17B10ABCB11
SCHEMBL10333732 0.90 PGR (0.63) NR3C1HIF1APGRHSD17B10ABCB11
SCHEMBL10948193 0.87 PGR (0.61) NR3C1HIF1APGRHSD17B10ABCB11
SCHEMBL10948168 0.87 PGR (0.61) NR3C1HIF1APGRHSD17B10ABCB11

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5200518-A Reduced side effcts KANGWEON NATIONAL UNIVERSITY (KR) 1993-04-06 US disclosed
EP-0503388-A1 Pregna-21-oic acid esters TEIKOKU SEIYAKU KABUSHIKI KAISHA (JP) 1992-09-16 EP disclosed