SCHEMBL9700930

SCHEMBL9700930

CC(c1ccccc1)c1ccc(O[Si](C)(C)C(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.40
CA12 O43570 4/20 0.39
CA1 P00915 4/20 0.39
CA9 Q16790 4/20 0.39
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ACP3 P15309 1/20 0.33
RIPK1 Q13546 1/20 0.33
ESR1 P03372 1/20 0.32
PDCD1 Q15116 1/20 0.32
ESR2 Q92731 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
TBXAS1 P24557 1/20 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
SCHEMBL12855612 0.82 PREP (0.44) PREPCA12CA1CA9KMT2A
SCHEMBL2368966 0.81 PREP (0.45) PREPCA12CA1CA9ATM
SCHEMBL6763899 0.79 PREP (0.53) PREPCA12CA1CA9ALDH1A1
SCHEMBL27392022 0.79 PREP (0.42) PREPCA12CA1CA9ESR1
SCHEMBL21405244 0.79 PREP (0.42) PREPCA12CA1CA9ALDH1A1
SCHEMBL4781553 0.79 PREP (0.42) PREPCA12CA1CA9
SCHEMBL16171288 0.78 PREP (0.51) PREPCA12CA1CA9L3MBTL1
Methylamine SCHEMBL7237290 0.77 PREP (0.42) PREPCA12CA1CA9ATM
SCHEMBL8699120 0.77 PREP (0.39) PREPATML3MBTL1KMT2AALDH1A1
SCHEMBL8699124 0.77 MAPT (0.40) PREPATML3MBTL1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5081191-A Functionalized polymers prepared by anionic polymerization THE DOW CHEMICAL COMPANY (US) 1992-01-14 US disclosed
US-4975491-A Functionalized polymers prepared by anionic polymerization THE DOW CHEMICAL COMPANY (US) 1990-12-04 US disclosed