SCHEMBL2720550

SCHEMBL2720550

C=C(C)C(=O)OCCCCCNC(C)=O

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.62
KDM4E B2RXH2 1/20 0.57
MAPK1 P28482 1/20 0.57
HIF1A Q16665 1/20 0.57
PAOX Q6QHF9 3/20 0.48
POLB P06746 1/20 0.48
APEX1 P27695 1/20 0.48
HTT P42858 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ADRA1A P35348 1/20 0.47
THRB P10828 1/20 0.46
ACHE P22303 9/20 0.44
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL2720435 0.93 TSHR (0.56) TSHRKDM4EMAPK1HIF1APAOX
SCHEMBL16309328 0.89 TSHR (0.62) TSHRKDM4EMAPK1HIF1APOLB
SCHEMBL16385235 0.89 TSHR (0.62) TSHRKDM4EMAPK1HIF1APOLB
SCHEMBL16384917 0.89 TSHR (0.62) TSHRKDM4EMAPK1HIF1APOLB
SCHEMBL10093528 0.88 KDM4E (0.52) TSHRKDM4EMAPK1HIF1APAOX
SCHEMBL29100282 0.88 TSHR (0.61) TSHRKDM4EMAPK1HIF1APOLB
SCHEMBL29100295 0.88 TSHR (0.61) TSHRKDM4EMAPK1HIF1APOLB
SCHEMBL4983337 0.86 TSHR (0.59) TSHRKDM4EMAPK1HIF1APOLB
SCHEMBL4977289 0.86 TSHR (0.59) TSHRKDM4EMAPK1HIF1APOLB
SCHEMBL5532653 0.86 TSHR (0.59) TSHRKDM4EMAPK1HIF1APAOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2401998-A1 Dental composition, kit of parts and use thereof 3M Innovative Properties Company (US) 2012-01-04 EP disclosed