SCHEMBL8107559

SCHEMBL8107559

CC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1CCCO

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.36
ABCB1 P08183 1/20 0.35
SRC P12931 8/20 0.32
ALDH1A1 P00352 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 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
SCHEMBL9567173 0.93 NR1H2 (0.37) NR1H2ABCB1SRCALDH1A1MEN1
SCHEMBL1241323 0.88 NR1H2 (0.42) NR1H2ABCB1SRCALDH1A1MEN1
SCHEMBL139880 0.88 NR1H2 (0.42) NR1H2ABCB1SRCALDH1A1MEN1
SCHEMBL1241324 0.88 NR1H2 (0.42) NR1H2ABCB1SRCALDH1A1MEN1
SCHEMBL1372634 0.88 NR1H2 (0.42) NR1H2ABCB1SRCALDH1A1MEN1
SCHEMBL20312947 0.88 NR1H2 (0.42) NR1H2ABCB1SRCALDH1A1MEN1
SCHEMBL142689 0.88 NR1H2 (0.42) NR1H2ABCB1SRCALDH1A1MEN1
SCHEMBL19964151 0.88 NR1H2 (0.42) NR1H2ABCB1SRCALDH1A1MEN1
SCHEMBL21286125 0.88 NR1H2 (0.42) NR1H2ABCB1SRCALDH1A1MEN1
SCHEMBL2386707 0.88 NR1H2 (0.42) NR1H2ABCB1SRCALDH1A1MEN1

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
WO-2015028409-A1 6,7-DIHYDRO-5H-BENZO[7]ANNULENE DERIVATIVES, METHOD FOR THE PREPARATION THEREOF, PHARMACEUTICAL PREPARATIONS COMPRISING THEM, AND THE USE THEREOF FOR PRODUCING MEDICAMENTS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-03-05 WO disclosed
EP-0545290-B1 Aminoalkylpyrrolidinylthiocarbapenem derivatives BANYU PHARMA CO LTD (JP) 2000-08-23 EP disclosed
US-5550121-A ANTIBIOTICS BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-08-27 US disclosed
US-5449672-A Bactericides BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-09-12 US disclosed
EP-0545290-A1 Aminoalkylpyrrolidinylthiocarbapenem derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-06-09 EP disclosed
EP-0544307-A1 Alkylaminoakylpyrrolidinylthiocarbapenem derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-06-02 EP disclosed