SCHEMBL9514642

SCHEMBL9514642

C=C(C#N)C(=O)O.C=C(C)C(=O)Oc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.56
ATM Q13315 4/20 0.42
KMT2A Q03164 2/20 0.42
HSD17B10 Q99714 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HPGD P15428 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
TSHR P16473 1/20 0.35
HSP90AA1 P07900 1/20 0.35
GAA P10253 1/20 0.35
MAOB P27338 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALOX15 P16050 1/20 0.33

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
Water SCHEMBL11049169 0.87 ELANE (0.71) ELANEATMKMT2AHSD17B10NPC1
Methacrylic Acid SCHEMBL28500482 0.85 ELANE (0.69) ELANEATMKMT2AHSD17B10HPGD
Methacrylic Acid SCHEMBL2036071 0.85 ELANE (0.69) ELANEATMKMT2AHSD17B10HPGD
Methacrylic Acid SCHEMBL5074159 0.85 ELANE (0.69) ELANEATMKMT2AHSD17B10HPGD
Benzene SCHEMBL28301757 0.85 ELANE (0.73) ELANEATMKMT2AHSD17B10HPGD
Benzene SCHEMBL27862765 0.85 ELANE (0.73) ELANEATMKMT2AHSD17B10HPGD
SCHEMBL15058 0.85 ELANE (0.73) ELANEATMKMT2AHSD17B10HPGD
SCHEMBL87437 0.85 ELANE (0.73) ELANEATMKMT2AHSD17B10HPGD
Methacrylic Acid SCHEMBL28606167 0.83 ELANE (0.67) ELANEATMKMT2AHSD17B10HPGD
SCHEMBL604740 0.83 HSD17B10 (0.48) ELANEATMHSD17B10NPC1RAB9A

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-5019474-A None JP disclosed
JP-H0519474-A POSITIVE TYPE ELECTRON BEAM RESIST TOPPAN PRINTING CO LTD 1993-01-29 JP disclosed
JP-H00519474-A 0001-01-01 JP disclosed