SCHEMBL28848100

SCHEMBL28848100

C=CCc1c(CC)ccc2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.46
MAPT P10636 9/20 0.42
ALDH1A1 P00352 9/20 0.42
SMN1; SMN2 Q16637 7/20 0.42
MAPK1 P28482 7/20 0.42
L3MBTL1 Q9Y468 6/20 0.42
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.42
LMNA P02545 4/20 0.42
CYP3A4 P08684 4/20 0.41
CASP3 P42574 3/20 0.41
TSHR P16473 2/20 0.41
SENP7 Q9BQF6 2/20 0.41
SENP6 Q9GZR1 2/20 0.41
HBB P68871 1/20 0.41
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
MAOA P21397 2/20 0.39
HPGD P15428 2/20 0.39
MCL1 Q07820 2/20 0.39

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
SCHEMBL7600157 0.91 ELANE (0.48) ELANEMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL3798382 0.84 MAPK1 (0.50) ELANEMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL9355397 0.80 MAOA (0.56) ELANEMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL28018779 0.80 ELANE (0.49) ELANEMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL1399810 0.77 ELANE (0.61) ELANEMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL30497048 0.77 ELANE (0.67) ELANEMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL2834207 0.77 ELANE (0.67) ELANEMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL9282673 0.77 MAOA (0.56) ELANEMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL11412142 0.77 GABRA1 (0.46) ELANEMAPTALDH1A1SMN1; SMN2MAPK1
Ammonia Solution, Strong SCHEMBL27806147 0.76 ELANE (0.66) ELANEMAPTALDH1A1SMN1; SMN2MAPK1

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
CN-107073816-A Stereolithographic process and composition DWS有限公司 2017-08-18 CN disclosed