SCHEMBL15977397

SCHEMBL15977397

CC(C)(C)OC(=O)[C@H]1C[C@@H]1c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
HDAC4 P56524 1/20 0.51
HRH3 Q9Y5N1 3/20 0.51
ALDH1A1 P00352 1/20 0.50
KDM1A O60341 1/20 0.49
MAOB P27338 1/20 0.49
SLC9A1 P19634 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
ATM Q13315 1/20 0.46
HPGD P15428 1/20 0.45
AR P10275 2/20 0.45
DEGS1 O15121 1/20 0.44
RORC P51449 1/20 0.44

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
SCHEMBL15977398 1.00 MAPK1 (0.55) MAPK1SMN1; SMN2TDP1HDAC4HRH3
SCHEMBL15977388 1.00 MAPK1 (0.55) MAPK1SMN1; SMN2TDP1HDAC4HRH3
SCHEMBL20524971 0.86 MAPK1 (0.45) MAPK1SMN1; SMN2TDP1HDAC4HRH3
SCHEMBL20524969 0.86 MAPK1 (0.45) MAPK1SMN1; SMN2TDP1HDAC4HRH3
SCHEMBL799768 0.85 ALDH1A1 (0.54) MAPK1SMN1; SMN2TDP1ALDH1A1KDM1A
SCHEMBL22751915 0.85 PPARA (0.43) MAPK1SMN1; SMN2TDP1HRH3ALDH1A1
SCHEMBL20524950 0.85 PPARA (0.43) MAPK1SMN1; SMN2TDP1HRH3ALDH1A1
SCHEMBL29913419 0.84 MAPK1 (0.43) MAPK1SMN1; SMN2TDP1HDAC4HRH3
SCHEMBL29793453 0.84 MAPK1 (0.47) MAPK1SMN1; SMN2TDP1HDAC4HRH3
SCHEMBL20524935 0.84 MAPK1 (0.47) MAPK1SMN1; SMN2TDP1HDAC4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170247725-A1 IN VIVO AND IN VITRO OLEFIN CYCLOPROPANATION CATALYZED BY HEME ENZYMES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-08-31 US disclosed
US-20170247725-A1 IN VIVO AND IN VITRO OLEFIN CYCLOPROPANATION CATALYZED BY HEME ENZYMES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-08-31 US disclosed
US-9493799-B2 In vivo and in vitro olefin cyclopropanation catalyzed by heme enzymes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2016-11-15 US disclosed
US-9493799-B2 In vivo and in vitro olefin cyclopropanation catalyzed by heme enzymes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2016-11-15 US disclosed
US-20160002682-A1 IN VIVO AND IN VITRO OLEFIN CYCLOPROPANATION CATALYZED BY HEME ENZYMES UNITED STATES DEPARTMENT OF ENERGY 2016-01-07 US disclosed
US-20160002682-A1 IN VIVO AND IN VITRO OLEFIN CYCLOPROPANATION CATALYZED BY HEME ENZYMES UNITED STATES DEPARTMENT OF ENERGY 2016-01-07 US disclosed
US-8993262-B2 In vivo and in vitro olefin cyclopropanation catalyzed by heme enzymes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-03-31 US disclosed
US-8993262-B2 In vivo and in vitro olefin cyclopropanation catalyzed by heme enzymes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-03-31 US disclosed
US-20140242647-A1 IN VIVO AND IN VITRO OLEFIN CYCLOPROPANATION CATALYZED BY HEME ENZYMES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-08-28 US disclosed
US-20140242647-A1 IN VIVO AND IN VITRO OLEFIN CYCLOPROPANATION CATALYZED BY HEME ENZYMES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-08-28 US disclosed