SCHEMBL9623866

SCHEMBL9623866

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 11/20 0.67
PGR P06401 6/20 0.67
HIF1A Q16665 5/20 0.67
HSD17B10 Q99714 2/20 0.67
ABCB11 O95342 2/20 0.67
CYP3A4 P08684 2/20 0.67
TNF P01375 1/20 0.67
IL6 P05231 1/20 0.67
SERPINA6 P08185 1/20 0.67
NR3C2 P08235 1/20 0.67
AR P10275 1/20 0.67
GLUL P15104 1/20 0.67
ADAM17 P78536 1/20 0.67
GPBAR1 Q8TDU6 1/20 0.67
CYP2C19 P33261 1/20 0.67
LMNA P02545 4/20 0.56
NR1I2 O75469 2/20 0.55
CNR1 P21554 1/20 0.55
MAPT P10636 1/20 0.54
ABCC3 O15438 1/20 0.54

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
SCHEMBL11401828 0.86 NR3C1 (0.73) NR3C1PGRHIF1AHSD17B10ABCB11
SCHEMBL22368058 0.86 NR3C1 (0.73) NR3C1PGRHIF1AHSD17B10ABCB11
SCHEMBL18919491 0.86 NR3C1 (0.73) NR3C1PGRHIF1AHSD17B10ABCB11
SCHEMBL8939666 0.84 LMNA (0.73) NR3C1PGRHIF1AHSD17B10CYP3A4
Loteprednol SCHEMBL23974936 0.82 NR3C1 (0.80) NR3C1PGRHIF1AHSD17B10ABCB11
Deprodone SCHEMBL121194 0.82 NR3C1 (0.80) NR3C1PGRHIF1AHSD17B10ABCB11
Loteprednol SCHEMBL12738241 0.82 NR3C1 (0.80) NR3C1PGRHIF1AHSD17B10ABCB11
Loteprednol SCHEMBL15803210 0.82 NR3C1 (0.80) NR3C1PGRHIF1AHSD17B10ABCB11
Loteprednol SCHEMBL5095876 0.82 NR3C1 (0.80) NR3C1PGRHIF1AHSD17B10ABCB11
Loteprednol SCHEMBL12396678 0.82 NR3C1 (0.80) NR3C1PGRHIF1AHSD17B10ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0268400-B1 STEROIDAL 17ALPHA-SILYL ETHERS AND PROCESS TO CORTICOIDS AND PROGESTERONES THE UPJOHN COMPANY (US) 1992-04-29 EP claimed
US-4548748-A Cyanohydrin process THE UPJOHN COMPANY (US) 1985-10-22 US claimed
US-4831131-A 11β,17α-Dihydroxy-17β-cyano-androstanes THE UPJOHN COMPANY (US) 1989-05-16 US disclosed
US-4585590-A Cyanohydrin process THE UPJOHN COMPANY (US) 1986-04-29 US disclosed
US-4548748-A Cyanohydrin process THE UPJOHN COMPANY (US) 1985-10-22 US disclosed
EP-0153001-A2 Steroids having an enamide or enimide group and their preparation THE UPJOHN COMPANY (US) 1985-08-28 EP disclosed
US-4500461-A Cyanohydrin process THE UPJOHN COMPANY (US) 1985-02-19 US disclosed