SCHEMBL15031059

SCHEMBL15031059

CC(C)c1ccc(C[N+]2(O)CCOCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 3/20 0.44
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MAPK1 P28482 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KMT2A Q03164 1/20 0.39
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
IDO1 P14902 2/20 0.37
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL12014133 0.81 FKBP1A (0.42) FKBP1AALDH1A1SMN1; SMN2MAPK1L3MBTL1
SCHEMBL17432297 0.81 ALDH1A1 (0.42) FKBP1AALDH1A1SMN1; SMN2MAPK1L3MBTL1
SCHEMBL12014144 0.80 FKBP1A (0.41) FKBP1AALDH1A1SMN1; SMN2MAPK1L3MBTL1
SCHEMBL10117937 0.77 CYP1A2 (0.40) FKBP1AALDH1A1SMN1; SMN2MAPTKMT2A
Water SCHEMBL1702301 0.75 CYP1A2 (0.39) FKBP1AALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL301096 0.73 MAPT (0.37) MAPTKMT2ANPC1RAB9A
SCHEMBL3414368 0.71 CHKA (0.36) FKBP1AALDH1A1SMN1; SMN2L3MBTL1GAA
SCHEMBL14409223 0.68 NPC1 (0.41) ALDH1A1L3MBTL1KMT2ANPC1RAB9A
SCHEMBL12014140 0.67 CHRNB2 (0.59) L3MBTL1KMT2AIDO1
SCHEMBL12014127 0.66 FKBP1A (0.43) FKBP1AALDH1A1SMN1; SMN2MAPK1L3MBTL1

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
US-8466242-B2 Polymeric acid catalysts and uses thereof Midori Renewables, Inc. (US) 2013-06-18 US disclosed