SCHEMBL14048482

SCHEMBL14048482

C=C(C)C(=O)Oc1ccc(C(=O)CC)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.61
KMT2A Q03164 5/20 0.51
SMN1; SMN2 Q16637 6/20 0.50
RAB9A P51151 5/20 0.50
NPC1 O15118 3/20 0.50
ALDH1A1 P00352 3/20 0.50
ATM Q13315 1/20 0.49
MAPT P10636 6/20 0.48
TDP1 Q9NUW8 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ESR1 P03372 1/20 0.46
RECQL P46063 1/20 0.46
HIF1A Q16665 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 2/20 0.43
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.41

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
SCHEMBL16125330 0.91 ELANE (0.52) ELANEKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL9291045 0.86 ELANE (0.61) ELANEKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL8835772 0.86 KMT2A (0.64) ELANEKMT2ASMN1; SMN2ALDH1A1ATM
Butane SCHEMBL15309676 0.83 ELANE (0.61) ELANEKMT2ASMN1; SMN2RAB9AALDH1A1
SCHEMBL13540786 0.83 ELANE (0.58) ELANEKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL56436 0.83 ELANE (0.69) ELANEKMT2ASMN1; SMN2RAB9AALDH1A1
1,1-Dichloroethene SCHEMBL9290930 0.82 ELANE (0.56) ELANEKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL7459878 0.82 ELANE (0.74) ELANEKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL8966108 0.82 ELANE (0.69) ELANEKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL15087045 0.82 ELANE (0.69) ELANEKMT2ASMN1; SMN2RAB9AALDH1A1

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
WO-2008124797-A1 CURATIVES FOR EPOXY COMPOSITIONS DESIGNER MOLECULES, INC. (US) 2008-10-16 WO disclosed