SCHEMBL9003526

SCHEMBL9003526

CC(C)(C)c1ccc([S+](CC(=O)c2ccccc2)c2ccc(C(C)(C)C)cc2)cc1.CCC(C)[B-](c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
RECQL P46063 2/20 0.38
KCNK9 Q9NPC2 1/20 0.36
MAPT P10636 5/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
ESRRG P62508 2/20 0.36
LMNA P02545 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HSP90AA1 P07900 1/20 0.34
THRB P10828 1/20 0.34
ALPL P05186 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
APAF1 O14727 1/20 0.33
TNF P01375 1/20 0.33
KLF5 Q13887 1/20 0.33
NOD1 Q9Y239 1/20 0.33

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
SCHEMBL9003367 0.93 RAB9A (0.35) ALDH1A1RAB9ANPC1RECQLKCNK9
SCHEMBL9003615 0.84 RAB9A (0.50) ALDH1A1RAB9ANPC1RECQLKCNK9
SCHEMBL8757927 0.81 ALDH1A1 (0.36) ALDH1A1RAB9ANPC1MAPTL3MBTL1
SCHEMBL8757654 0.79 MAPT (0.38) ALDH1A1RAB9ANPC1MAPTL3MBTL1
SCHEMBL9003474 0.76 L3MBTL1 (0.36) ALDH1A1RAB9ANPC1RECQLKCNK9
SCHEMBL9003389 0.73
SCHEMBL8757242 0.71 RAD52 (0.36) ALDH1A1NPC1MAPTL3MBTL1TDP1
SCHEMBL9003227 0.71
SCHEMBL8757638 0.70 L3MBTL1 (0.46) ALDH1A1RAB9ANPC1MAPTL3MBTL1
SCHEMBL1095578 0.69 TDP1 (0.54) ALDH1A1RAB9ANPC1RECQLMAPT

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-5500453-A INITIATOR FOR PHOTOSENSITIVE FREE RADICAL CURING/ POLYMERIZATION OF UNSATURATED COMPOUNDS TOYO INK MANUFACTURING CO., LTD. (JP) 1996-03-19 US disclosed