SCHEMBL17429970

SCHEMBL17429970

B/C=C/[C@H](COc1cccc(C(F)(F)F)c1)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
MAOB P27338 1/20 0.39
AOC3 Q16853 1/20 0.39
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
POLB P06746 2/20 0.38
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PTGFR P43088 1/20 0.37
PTGER3 P43115 1/20 0.37

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
SCHEMBL12549187 0.89 LMNA (0.41) LMNAPKMHSD17B10L3MBTL1MAOB
SCHEMBL3157069 0.88 L3MBTL1 (0.43) LMNAPKMHSD17B10L3MBTL1MAOB
SCHEMBL3157056 0.88 L3MBTL1 (0.43) LMNAPKMHSD17B10L3MBTL1MAOB
SCHEMBL3149002 0.86 LMNA (0.42) LMNAPKMHSD17B10L3MBTL1MAOB
SCHEMBL16414504 0.86 ALDH1A1 (0.44) LMNAPKMHSD17B10L3MBTL1MAOB
SCHEMBL16415172 0.86 ALDH1A1 (0.44) LMNAPKMHSD17B10L3MBTL1MAOB
SCHEMBL817473 0.86 LMNA (0.42) LMNAPKMHSD17B10L3MBTL1MAOB
SCHEMBL15272358 0.86 ALDH1A1 (0.44) LMNAPKMHSD17B10L3MBTL1MAOB
SCHEMBL17421972 0.85 MAOB (0.40) LMNAPKMHSD17B10L3MBTL1MAOB
SCHEMBL17421973 0.85 MAOB (0.40) LMNAPKMHSD17B10L3MBTL1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016005943-A1 METAL-CATALYZED ASYMMETRIC 1,4-CONJUGATE ADDITION OF VINYLBORON COMPOUNDS TO 2-SUBSTITUTED-4-OXY- CYCLOPENT-2-EN-L-ONES YIELDING PROSTAGLANDINS AND PROSTAGLANDIN ANALOGS SCINOPHARM TAIWAN, LTD. (TW) 2016-01-14 WO disclosed