SCHEMBL11028593

SCHEMBL11028593

CCCCc1ccc(C#Cc2c3ccccc3c(C#Cc3ccc(CCCC)cc3)c3ccccc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.46
HSD17B10 Q99714 3/20 0.42
TSHR P16473 1/20 0.42
FFAR4 Q5NUL3 2/20 0.41
CA2 P00918 2/20 0.41
CA1 P00915 1/20 0.41
HSD11B1 P28845 1/20 0.41
CTSV O60911 1/20 0.40
CTSL P07711 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
DHODH Q02127 1/20 0.38
ESR1 P03372 2/20 0.38
ADRA2A P08913 2/20 0.38
ADORA3 P0DMS8 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
SCHEMBL11023790 0.93 HSD17B10 (0.51) FFAR1HSD17B10TSHRFFAR4CTSV
SCHEMBL2137634 0.93 HSD17B10 (0.51) FFAR1HSD17B10TSHRFFAR4CTSV
SCHEMBL11023863 0.93 HSD17B10 (0.51) FFAR1HSD17B10TSHRFFAR4CTSV
SCHEMBL21562021 0.90 L3MBTL1 (0.50) FFAR1ALDH1A1HPGDSMN1; SMN2SIGMAR1
SCHEMBL716818 0.87 HSD17B10 (0.42) FFAR1HSD17B10TSHRFFAR4HSD11B1
SCHEMBL1495032 0.85 FFAR1 (0.61) FFAR1HSD17B10TSHRFFAR4CA2
SCHEMBL7504954 0.85 HSD17B10 (0.53) FFAR1HSD17B10TSHRFFAR4CA2
SCHEMBL9328426 0.85 HSD17B10 (0.53) FFAR1HSD17B10TSHRFFAR4CA2
SCHEMBL13515988 0.85 FFAR1 (0.49) FFAR1HSD17B10TSHRFFAR4MMP2
SCHEMBL13516262 0.85 FFAR1 (0.49) FFAR1HSD17B10TSHRFFAR4MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0084599-B1 9,10-BIS -ALKYLPHENYLETHYNYL-ANTHRACENES AND CHEMILUMINESCENT COMPOSITIONS AMERICAN CYANAMID COMPANY (US) 1985-05-15 EP disclosed
US-4401585-A FLUORESER REACTING WITH PEROXIDE TO CHEMILUMINESCE AMERICAN CYANAMID COMPANY (US) 1983-08-30 US disclosed
EP-0084599-A1 9,10-Bis -alkylphenylethynyl-anthracenes and chemiluminescent compositions AMERICAN CYANAMID COMPANY (US) 1983-08-03 EP disclosed