SCHEMBL9301993

SCHEMBL9301993

C=CC(=O)NCc1ccc(OC(=O)OC(C)(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.52
ELANE P08246 2/20 0.50
KDM1A O60341 1/20 0.41
THRB P10828 2/20 0.41
GAA P10253 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
EPHX2 P34913 2/20 0.39
NR1H4 Q96RI1 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPKAPK2 P49137 2/20 0.39
CYP3A4 P08684 1/20 0.38
LMNA P02545 2/20 0.38
BTK Q06187 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL9301965 0.85 BTK (0.43) TGM2ELANEEPHX2CYP3A4BTK
SCHEMBL9183678 0.81 ELANE (0.50) ELANEKDM1AGAANPC1RAB9A
SCHEMBL4743993 0.78 TGM2 (0.63) TGM2GAANPC1RAB9AEPHX2
SCHEMBL4143696 0.78 ELANE (0.64) ELANEKDM1ATHRBRAB9AMEN1
SCHEMBL732934 0.77 TGM2 (0.81) TGM2MEN1KMT2ALMNA
SCHEMBL5479758 0.77 PPARA (0.57) TGM2MEN1KMT2ACYP3A4MAPT
SCHEMBL4137908 0.77 ELANE (0.51) ELANEKDM1ATHRBMAPKAPK2
SCHEMBL1866948 0.76 HPGD (0.40) TGM2THRBGAANPC1RAB9A
SCHEMBL196293 0.76 ELANE (0.66) ELANEKDM1AMEN1KMT2AMAPKAPK2
SCHEMBL8476285 0.76 MEN1 (0.60) TGM2NPC1RAB9AEPHX2NR1H4

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
US-5326840-A Radiation-sensitive mixture containing novel polymers embodying units composed of amides of α, β-unsaturated carboxylic acids as binders HOECHST AKTIENGESELLSCHAFT (DE) 1994-07-05 US disclosed