SCHEMBL13840902

SCHEMBL13840902

O=C(OCCOCCOc1ccccc1)C(F)(F)SOOO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.44
HDAC2 Q92769 5/20 0.44
THRB P10828 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 1/20 0.42
PARP10 Q53GL7 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PKM P14618 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38

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
SCHEMBL13840907 0.87 KDM4E (0.52) HDAC1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL13840903 0.86 HDAC1 (0.40) HDAC1HDAC2THRBNPC1RAB9A
SCHEMBL13840904 0.86 CES1 (0.40) THRBNPC1RAB9ASMN1; SMN2TSHR
SCHEMBL2603109 0.82 PPARG (0.46) HDAC1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2603105 0.81 HCAR2 (0.43) NPC1RAB9ASMN1; SMN2TSHRALDH1A1
SCHEMBL12972124 0.80 TDP1 (0.49) NPC1RAB9ASMN1; SMN2TSHRKMT2A
SCHEMBL2603126 0.79 LMNA (0.50) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL12134231 0.78 MEN1 (0.35) TSHRMEN1KMT2A
SCHEMBL2603110 0.78 ALDH1A1 (0.45) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL10122776 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7527910-B2 Salt suitable for an acid generator and a chemically amplified resist composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-05 US disclosed
US-20070184382-A1 Salt suitable for an acid generator and a chemically amplified resist composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-08-09 US disclosed