SCHEMBL12129682

SCHEMBL12129682

C#Cc1ccc2c3c(ccc(C#C)c13)C(=O)OC2=O

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TYMS P04818 4/20 0.43
ALOX15 P16050 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL148025 0.79 TYMS (0.62) TYMSALOX15TDP1ALDH1A1MEN1
SCHEMBL10035470 0.76 TYMS (0.41) TYMSALOX15TDP1ALDH1A1MEN1
SCHEMBL2810745 0.75 ALOX15 (0.37) TYMSALOX15TDP1ALDH1A1
SCHEMBL27809078 0.73 TYMS (0.56) TYMSALOX15TDP1ALDH1A1MEN1
SCHEMBL17548203 0.73 APP (0.43) TYMSALOX15TDP1ALDH1A1MEN1
SCHEMBL19720181 0.73 ALOX15 (0.36) TYMSALOX15TDP1ALDH1A1
SCHEMBL13741798 0.73 ALOX15 (0.42) TYMSALOX15TDP1ALDH1A1
SCHEMBL31185814 0.70 TYMS (0.52) TYMSALOX15TDP1ALDH1A1MEN1
SCHEMBL30606666 0.70 TYMS (0.52) TYMSALOX15TDP1ALDH1A1MEN1
SCHEMBL15119575 0.70 TDP1 (0.65) TYMSALOX15TDP1ALDH1A1MEN1

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-8063168-B2 Oligomers with di-phenylethynyl endcaps THE BOEING COMPANY (US) 2011-11-22 US disclosed
US-20100204412-A1 OLIGOMERS WITH DI-PHENYLETHYNYL ENDCAPS THE BOEING COMPANY 2010-08-12 US disclosed