SCHEMBL9718082

SCHEMBL9718082

CC(C)C(C)(C)[Si](C)(C)Oc1cccc(Br)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.37
CYP1A2 P05177 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MITF O75030 1/20 0.34
CA12 O43570 3/20 0.34
CA1 P00915 3/20 0.34
CA9 Q16790 3/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPK1 P28482 1/20 0.33
EGFR P00533 1/20 0.33

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
SCHEMBL232409 0.84 CA12 (0.45) MAOBCYP1A2GAAMAPTRECQL
SCHEMBL4576483 0.83 CA12 (0.44) MAOBCYP1A2GAAMAPTRECQL
Bromide SCHEMBL9718079 0.78 ATM (0.35) MAOBKDM4EL3MBTL1MAPK1
SCHEMBL9293197 0.75 GABRG2 (0.43) CYP1A2GAAMAPTKDM4EALDH1A1
SCHEMBL29705684 0.75 MAOB (0.46) MAOBCYP1A2GAAMAPTRECQL
SCHEMBL3428405 0.75 MAOB (0.46) MAOBCYP1A2GAAMAPTRECQL
SCHEMBL1877066 0.74 MAOB (0.42) MAOBCYP1A2GAAMAPTRECQL
SCHEMBL9197307 0.74 IDO1 (0.50) MAOB
SCHEMBL5352721 0.73 MAOB (0.44) MAOBCYP1A2GAAMAPTRECQL
SCHEMBL4576012 0.73 CA12 (0.37) MAOBCYP1A2GAAMAPTRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5153327-A 7-Oxabicycloheptyl substituted heterocyclic amide or ester prostaglandin analogs useful in the treatment of thrombotic and vasospastic disease E. R. SQUIBB & SONS, INC. (US) 1992-10-06 US disclosed
US-5100889-A Thromboxane A2 receptor antagonists, thromboxane synthetase inhibitor E. R. SQUIBB & SONS, INC. (US) 1992-03-31 US disclosed
US-4883811-A 7-Oxabicycloheptane imino interphenylene substituted prostaglandin analogs useful in the treatment of thrombotic disease E. R. SQUIBB & SONS, INC. 1989-11-28 US disclosed
WO-1989000160-A1 ENANTIOMERICALLY PURE TETRAHYDROFURAN COMPOUNDS AND A METHOD FOR THEIR PREPARATION ANDERSEN, HENRIK, RASTRUP (DK) 1989-01-12 WO disclosed