SCHEMBL12909294

SCHEMBL12909294

Cc1ccccc1C1(O)c2ccc(O[Si](C)(C)C(C)(C)C)cc2Oc2cc(O[Si](C)(C)C(C)(C)C)ccc21

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.38
CA1 P00915 4/20 0.38
CA9 Q16790 4/20 0.38
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP3A4 P08684 1/20 0.34
PREP P48147 1/20 0.32
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
PDK2 Q15119 1/20 0.31
CTSD P07339 1/20 0.31
BACE1 P56817 1/20 0.31
BRD4 O60885 1/20 0.31

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
SCHEMBL12945116 0.88 CA12 (0.31) CA12CA1CA9CYP3A4
SCHEMBL13871201 0.85 CA12 (0.39) CA12CA1CA9MEN1USP2
SCHEMBL12909291 0.82 CA12 (0.36) CA12CA1CA9MEN1USP2
SCHEMBL27392258 0.78 CYP3A4 (0.41) CA12CA1CA9MEN1USP2
SCHEMBL30829199 0.78 CYP3A4 (0.41) CA12CA1CA9MEN1USP2
SCHEMBL8133606 0.75 MEN1 (0.41) CA12CA1CA9MEN1USP2
SCHEMBL12945233 0.74 CA12 (0.32) CA12CA1CA9
SCHEMBL30829200 0.73 CYP3A4 (0.65) CA12CA1CA9MEN1USP2
SCHEMBL27392150 0.73 CYP3A4 (0.65) CA12CA1CA9MEN1USP2
SCHEMBL7599603 0.71 MEN1 (0.38) CA12CA1CA9MEN1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868147-B2 substantially no fluorescent before the cleavage but highly fluorescent after the cleavage; traps a target substance such as an enzyme and emits fluorescence Nagano, Tetsuo (JP) 2011-01-11 US disclosed
US-7524974-B2 Fluorescent probe Nagano, Tetsuo (JP) 2009-04-28 US disclosed
US-20080014602-A1 Fluorescent Probe SEKISUI MEDICAL CO., LTD. (JP) 2008-01-17 US disclosed