SCHEMBL9003474

SCHEMBL9003474

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
ESRRG P62508 2/20 0.36
RAB9A P51151 5/20 0.35
LMNA P02545 1/20 0.35
KCNK9 Q9NPC2 1/20 0.34
ALDH1A1 P00352 4/20 0.34
NPC1 O15118 3/20 0.34
NR1H4 Q96RI1 2/20 0.34
RECQL P46063 1/20 0.34
ALPL P05186 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TNF P01375 1/20 0.33
KLF5 Q13887 1/20 0.33
NOD1 Q9Y239 1/20 0.33
PDE2A O00408 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
SCHEMBL9003546 0.82 MAPT (0.50) L3MBTL1MAPTTDP1ESRRGRAB9A
SCHEMBL9003438 0.77 CTSL (0.30)
SCHEMBL9003526 0.76 ALDH1A1 (0.38) L3MBTL1MAPTTDP1ESRRGRAB9A
SCHEMBL8757315 0.75 CCR1 (0.36) HTT
SCHEMBL9003536 0.72 CES1 (0.48) L3MBTL1MAPTTDP1LMNAALDH1A1
SCHEMBL9003543 0.71 CES1 (0.36) LMNAALDH1A1GAAKIF11
SCHEMBL309451 0.70 LMNA (0.38) LMNAMEN1KMT2A
Tetramethylammonium Ion SCHEMBL1412797 0.67 LMNA (0.35) TDP1LMNAALDH1A1NPC1
Perchlorate SCHEMBL9003729 0.66 CES1 (0.43) L3MBTL1MAPTTDP1LMNAALDH1A1
SCHEMBL8757666 0.64 MAPT (0.36) L3MBTL1MAPTTDP1RAB9ALMNA

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