SCHEMBL1787783

SCHEMBL1787783

Cc1ccc[n+](C)c1C.F[B-](F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.37
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
PABPC1 P11940 1/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
KLK7 P49862 1/20 0.34
HDAC8 Q9BY41 4/20 0.33
TSHR P16473 1/20 0.33
TDP2 O95551 1/20 0.31
NSD2 O96028 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
RECQL P46063 1/20 0.31
GALK1 P51570 1/20 0.31
BLM P54132 1/20 0.31

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
SCHEMBL2495381 0.91
Bromide SCHEMBL30517303 0.88 KMT2A (0.38) ACHEKMT2AMEN1PABPC1RAB9A
Bromide SCHEMBL8748601 0.88 KMT2A (0.38) ACHEKMT2AMEN1PABPC1RAB9A
Fluoride Ion SCHEMBL12474470 0.88 KMT2A (0.38) ACHEKMT2AMEN1PABPC1RAB9A
Bromide SCHEMBL28737975 0.88 KMT2A (0.38) ACHEKMT2AMEN1PABPC1RAB9A
Hydrochloric Acid SCHEMBL6267344 0.88 KMT2A (0.38) ACHEKMT2AMEN1PABPC1RAB9A
Iodide SCHEMBL9052632 0.84 RAB9A (0.38) ACHEKMT2AMEN1PABPC1RAB9A
Perchlorate SCHEMBL9052014 0.80 KDM4E (0.34) ACHEKMT2AMEN1PABPC1RAB9A
Sulfuric Acid SCHEMBL5598588 0.78 KDM4E (0.33) ACHEKMT2AMEN1PABPC1RAB9A
SCHEMBL11598710 0.77 CCR1 (0.41) KMT2AMEN1PABPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9271512-B2 Crystal growth inhibitor for fats and oils TAIYO KAGAKU CO., LTD. (JP) 2016-03-01 US disclosed
CN-102105576-B Fat crystal growth inhibitor TAIYO KAGAKU KK 2014-02-19 CN disclosed
CN-102105576-A Fat crystal growth inhibitor TAIYO KAGAKU KK 2011-06-22 CN disclosed
US-20110123695-A1 CRYSTAL GROWTH INHIBITOR FOR FATS AND OILS TAIYO KAGAKU CO., LTD. (JP) 2011-05-26 US disclosed
WO-2010115098-A2 PALLADIUM-CATALYZED ORTHO-FLUORINATION THE SCRIPPS RESEARCH INSTITUTE (US) 2010-10-07 WO disclosed