SCHEMBL28209309

SCHEMBL28209309

C=C(C)C(=O)OC1C[C@H]2CC[C@@]1(C)C2(C)C.CC=C(O)C(=O)OCCCC

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
HTT P42858 3/20 0.48
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
KDM4E B2RXH2 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
PLA2G1B P04054 1/20 0.44
MAPK1 P28482 1/20 0.44
RAD52 P43351 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
CYP19A1 P11511 2/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL7958498 0.87 LMNA (0.46) LMNAHTTMAPTNPSR1KDM4E
SCHEMBL7974759 0.87 LMNA (0.48) LMNAHTTMAPTNPSR1KDM4E
SCHEMBL7974389 0.86 LMNA (0.45) LMNAHTTMAPTNPSR1KDM4E
Methacrylic Acid SCHEMBL1022891 0.86 LMNA (0.46) LMNAHTTMAPTNPSR1KDM4E
SCHEMBL8746643 0.83 LMNA (0.51) LMNAHTTMAPTNPSR1KDM4E
SCHEMBL28319877 0.83 LMNA (0.50) LMNAHTTMAPTNPSR1KDM4E
Acrylic Acid SCHEMBL3095853 0.83 LMNA (0.49) LMNAHTTMAPTNPSR1KDM4E
Hydroxyl Radical SCHEMBL28852473 0.82 MAPT (0.52) LMNAMAPTKMT2AMAPK1CYP19A1
SCHEMBL28300304 0.82 LMNA (0.45) LMNAHTTMAPTNPSR1KDM4E
SCHEMBL17006484 0.81 CYP19A1 (0.47) LMNAMAPTKDM4EKMT2AMAPK1

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-107849402-A Conductive adhesive tape 积水化学工业株式会社 2018-03-27 CN disclosed