SCHEMBL9159449

SCHEMBL9159449

COc1cc(OC)nc(C(O)(C(=O)O)C(C)C)n1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
EDNRB P24530 10/20 0.43
EDNRA P25101 10/20 0.43
CYP1A2 P05177 1/20 0.41
LMNA P02545 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
AR P10275 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CHEK1 O14757 1/20 0.35
JAK2 O60674 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
SCHEMBL8975607 0.79 KDM4E (0.42) KDM4EALDH1A1EDNRBEDNRACYP1A2
SCHEMBL9352927 0.73 CYP1A2 (0.38) KDM4EALDH1A1EDNRBEDNRACYP1A2
SCHEMBL9159299 0.73 EDNRB (0.41) KDM4EALDH1A1EDNRBEDNRALMNA
SCHEMBL8975739 0.71 CYP1A2 (0.42) KDM4EALDH1A1EDNRBEDNRACYP1A2
SCHEMBL9132905 0.69 ALDH1A1 (0.40) KDM4EALDH1A1EDNRBEDNRACYP1A2
SCHEMBL9461243 0.68 KDM4E (0.48) KDM4EALDH1A1EDNRBEDNRACYP1A2
SCHEMBL9356618 0.68 ALDH1A1 (0.36) KDM4EALDH1A1EDNRBEDNRACYP1A2
SCHEMBL8873001 0.67 ALDH1A1 (0.38) KDM4EALDH1A1EDNRBEDNRACYP1A2
SCHEMBL8976238 0.67 ALDH1A1 (0.38) KDM4EALDH1A1EDNRBEDNRACYP1A2
SCHEMBL8872731 0.67 ALDH1A1 (0.41) KDM4EALDH1A1EDNRBEDNRACYP1A2

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
JP-5239035-A None JP disclosed
US-5446013-A 2-alkyl-or-aryl-substituted-2-(pyrimidinyl-or-traizinyl-oxy(or-thio))-acotic acid derivatives, process for preparation, and use as herbicides or plant-growth regulators HOECHST AKTIENGESELLSCHAFT (DE) 1995-08-29 US disclosed
JP-H05239035-A PYRIMIDINYL-OR TRIAZINYL-OXY-(OR-THIO)-CARBOXYLIC ACID DERIVATIVE, THOSE PRODUCTION AND USE AS HERBICIDE OR PLANT GROWTH REGULATOR THEREOF HOECHST AG 1993-09-17 JP disclosed