SCHEMBL16256451

SCHEMBL16256451

CC(C)(COc1cccc(Br)c1)COC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.49
RAB9A P51151 2/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
SOD1 P00441 1/20 0.41
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
MAOA P21397 1/20 0.38

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
SCHEMBL16256459 0.85 MAOB (0.50) MAOBRAB9AHTTL3MBTL1ALDH1A1
SCHEMBL16256615 0.83 MAOB (0.49) MAOBRAB9AHTTL3MBTL1ALDH1A1
SCHEMBL3636719 0.82 MAOB (0.55) MAOBRAB9AHTTL3MBTL1ALDH1A1
SCHEMBL16256452 0.80 RAB9A (0.51) MAOBRAB9AHTTL3MBTL1ALDH1A1
SCHEMBL14241249 0.80 MAOB (0.49) MAOBRAB9AHTTL3MBTL1ALDH1A1
SCHEMBL27075523 0.79 MAOB (0.51) MAOBRAB9AHTTL3MBTL1ALDH1A1
SCHEMBL31173236 0.79 MAOB (0.51) MAOBRAB9AHTTL3MBTL1ALDH1A1
SCHEMBL19384427 0.79 MAOB (0.51) MAOBRAB9AHTTL3MBTL1ALDH1A1
SCHEMBL8834794 0.78 KDM4E (0.51) MAOBALDH1A1KDM4ELMNAMAPT
SCHEMBL19384488 0.78 MAOB (0.50) MAOBRAB9AHTTL3MBTL1ALDH1A1

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-8895730-B2 Synthesis of two-photon absorbing polyhydroxy diphenylamino-dialkylfluorene-1,3,5-triazine molecules THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2014-11-25 US disclosed
US-8895730-B2 Synthesis of two-photon absorbing polyhydroxy diphenylamino-dialkylfluorene-1,3,5-triazine molecules THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2014-11-25 US disclosed