SCHEMBL9019944

SCHEMBL9019944

CCCC(C(=O)OCC)c1nc(OC)cc(OC)n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
POLB P06746 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
CYP1A2 P05177 1/20 0.38
ADORA3 P0DMS8 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ADORA1 P30542 1/20 0.36
EDNRB P24530 2/20 0.36
EDNRA P25101 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL9019961 0.84 EDNRB (0.42) ALDH1A1KDM4ECYP1A2EDNRBEDNRA
SCHEMBL8975749 0.78 ALDH1A1 (0.42) ALDH1A1POLBKDM4EMAPTCYP1A2
SCHEMBL8873130 0.77 ALDH1A1 (0.41) ALDH1A1POLBKDM4EMAPTCYP1A2
SCHEMBL9902864 0.75 SMN1; SMN2 (0.48) ALDH1A1POLBKDM4EMAPTCYP1A2
SCHEMBL9774228 0.75 CYP1A2 (0.37) ALDH1A1POLBKDM4EMAPTCYP1A2
SCHEMBL16751946 0.74 KCNB1 (0.41) ALDH1A1POLBSMN1; SMN2TSHRMAPK1
SCHEMBL9774221 0.74 POLB (0.36) ALDH1A1POLBKDM4EMAPTCYP1A2
SCHEMBL9878688 0.72 EDNRB (0.44) ALDH1A1POLBCYP1A2SMN1; SMN2EDNRB
SCHEMBL9701288 0.71 POLB (0.39) ALDH1A1POLBKDM4EMAPTCYP1A2
SCHEMBL577793 0.70 ALDH1A1 (0.52) ALDH1A1POLBKDM4EMAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0422751-B1 Substituted 2-pyrimidinyl and 2-triazinylacetic acid derivatives, process for their preparation and their use as agent with herbicidal, fungicidal and plant growth regulating activity HOECHST SCHERING AGREVO GMBH (DE) 1996-08-14 EP disclosed
US-5238907-A Substituted 2-pyrimidinyl-acetic acid derivatives, and their use as herbicides, fungicides and plant growth regulators SCHERING AKTIENGESELLSCHAFT (DE) 1993-08-24 US disclosed
US-5098465-A Triazine or pyrimidine acetic acids or amides SHERING AKTIENGESELLSCHAFT (DE) 1992-03-24 US disclosed
EP-0422751-A2 Substituted 2-pyrimidinyl and 2-triazinylacetic acid derivatives, process for their preparation and their use as agent with herbicidal, fungicidal and plant growth regulating activity Hoechst Schering AgrEvo GmbH (DE) 1991-04-17 EP disclosed