SCHEMBL7177601

SCHEMBL7177601

CCCCCCCCCCCCCCCCCCc1cc2ccc1o2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.43
ALOX15 P16050 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 2/20 0.43
CYP3A4 P08684 2/20 0.43
ALOX5 P09917 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LIPG Q9Y5X9 1/20 0.41
KCNH2 Q12809 1/20 0.40
TLR8 Q9NR97 1/20 0.38
SRC P12931 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
ESR1 P03372 2/20 0.36
ADRA2A P08913 2/20 0.36
ADORA3 P0DMS8 2/20 0.36
TACR2 P21452 2/20 0.36

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
SCHEMBL5489008 0.98 TYR (0.41) TYRALOX15MEN1KMT2AMAPT
SCHEMBL8470589 0.84 HSD17B3 (0.38) MEN1KMT2AMAPTCYP3A4ALOX5
SCHEMBL9581030 0.78 ALOX5 (0.46) TYRALOX15MEN1KMT2AMAPT
SCHEMBL25417724 0.75 ALOX5 (0.43) TYRALOX15MEN1KMT2AMAPT
SCHEMBL878089 0.75 ALOX5 (0.43) TYRALOX15MEN1KMT2AMAPT
SCHEMBL25415956 0.72 ALOX5 (0.40) TYRALOX15MEN1KMT2AMAPT
SCHEMBL28737834 0.70 HCAR2 (0.40) TYRALOX15MEN1KMT2AMAPT
SCHEMBL7261310 0.69 LIPG (0.45) TYRALOX15MEN1KMT2AMAPT
SCHEMBL16806173 0.68 SRC (0.41) TYRALOX15MEN1KMT2AMAPT
SCHEMBL18889039 0.67 ALOX5 (0.50) TYRALOX15MEN1KMT2AMAPT

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-6576800-B2 Crystalline polymer with a melting point of >/= 5J/g NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2003-06-10 US disclosed
US-20020028907-A1 Crystalline polymer with a melting point of >/= 5J/g SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-03-07 US disclosed