SCHEMBL9258518

SCHEMBL9258518

CCC1(CCC(=O)OC)OCCO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
GLA P06280 1/20 0.37
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
CA12 O43570 3/20 0.33
CA14 Q9ULX7 3/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PABPC1 P11940 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
EPHX2 P34913 3/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
HSD17B10 Q99714 2/20 0.32

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
SCHEMBL17089236 0.85 TSHR (0.43) TSHRGLAMGAMGAASI
SCHEMBL12254224 0.84 TSHR (0.41) TSHRGLAMGAMGAASI
SCHEMBL5066889 0.81 MGAM (0.38) TSHRGLAMGAMGAASI
SCHEMBL14146256 0.80 ALDH1A1 (0.38) LMNAALDH1A1
SCHEMBL22056468 0.78 TSHR (0.36) TSHRGLAMGAMGAASI
SCHEMBL7847493 0.77 TSHR (0.46) TSHRGLAMGAMGAASI
SCHEMBL9492131 0.76 TSHR (0.34) TSHRCA12CA14EPHX2CA2
SCHEMBL12192693 0.75 POLB (0.44) TSHRCA12CA14LMNAEPHX2
SCHEMBL9493778 0.75 TSHR (0.33) TSHRCA12CA14EPHX2CA2
SCHEMBL743102 0.74 MGAM (0.42) TSHRGLAMGAMGAASI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5393747-A Substituted dibenzoxazepine compounds for the treatment of convulsions, ischemia and other diseases responsive to prostaglandin-E2 antagonists G. D. SEARLE & CO. (US) 1995-02-28 US disclosed
EP-0583408-A1 SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE G.D. SEARLE & CO. (US) 1994-02-23 EP disclosed
US-5283240-A Administering prostaglandin antagonists G. D. SEARLE & CO. (US) 1994-02-01 US disclosed
US-5182272-A 8-substituted-dibenz[b,f][1,4]oxazepine-10(11)-carboxylic acid, substituted hydrazides, pharmaceutical compositions, and methods for treating pain G. D. SEARLE & CO. (US) 1993-01-26 US disclosed
WO-1992019605-A1 SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE G. D. SEARLE & CO. (US) 1992-11-12 WO disclosed
EP-0512399-A1 Substituted dibenzoxazepine compounds, pharmaceutical compositions and methods of use G.D. Searle & Co. (US) 1992-11-11 EP disclosed