SCHEMBL9016086

SCHEMBL9016086

O=C(Cl)OOC1C2CC3CC(C2)CC1C3

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.40
EPHX1 P07099 1/20 0.38
CYP2C9 P11712 1/20 0.35
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
EPHX2 P34913 1/20 0.32
MAPT P10636 1/20 0.30

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
SCHEMBL1033337 0.76 HSD11B1 (0.52) HSD11B1EPHX1CYP2C9HSD17B10L3MBTL1
SCHEMBL3280826 0.74 ALDH1A1 (0.35) HSD11B1EPHX1
SCHEMBL7927543 0.68 HSD11B1 (0.48) HSD11B1EPHX1CYP2C9HSD17B10L3MBTL1
SCHEMBL5350579 0.67 HSD11B1 (0.52) HSD11B1EPHX1CYP2C9HSD17B10L3MBTL1
SCHEMBL3905357 0.65 HSD11B1 (0.46) HSD11B1EPHX1CYP2C9EPHX2
SCHEMBL21392343 0.65 HSD11B1 (0.46) HSD11B1EPHX1CYP2C9HSD17B10L3MBTL1
SCHEMBL7927539 0.65 HSD11B1 (0.46) HSD11B1EPHX1CYP2C9HSD17B10L3MBTL1
SCHEMBL6670021 0.65 HSD11B1 (0.50) HSD11B1EPHX1CYP2C9HSD17B10L3MBTL1
SCHEMBL3753073 0.65 HSD11B1 (0.50) HSD11B1EPHX1CYP2C9EPHX2
SCHEMBL1155595 0.65 HSD11B1 (0.50) HSD11B1EPHX1CYP2C9HSD17B10L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5508432-A TREATING GASTROINTESTINAL DISORDERS, CENTRAL NERVOUS SYSTEM DISORDERS GLAXO WELLCOME INC. (US) 1996-04-16 US disclosed
US-5380872-A Appetite suppresant, gall bladder disorders, CNS disorders GLAXO INC. (US) 1995-01-10 US disclosed
US-5346907-A Cholecystokinin antagonists used in treatment or prevention of disorders of gastrointestinal, central nervous, appetite regulating or pain regulating systems ABBOTT LABORATORIES (US) 1994-09-13 US disclosed