SCHEMBL29199857

SCHEMBL29199857

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

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
CYP2C19 P33261 1/20 0.52
CYP19A1 P11511 2/20 0.49

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
SCHEMBL28349855 0.89 ALDH1A1 (0.57) MAPTMAPK1KMT2AALDH1A1LMNA
SCHEMBL27548463 0.89 MAPT (0.60) MAPTMAPK1KMT2AALDH1A1LMNA
SCHEMBL27975925 0.89 MAPT (0.60) MAPTMAPK1KMT2AALDH1A1LMNA
Acetic Acid SCHEMBL27635724 0.88 MAPT (0.51) MAPTMAPK1KMT2AALDH1A1LMNA
Acetic Acid SCHEMBL8839883 0.88 MAPT (0.51) MAPTMAPK1KMT2AALDH1A1LMNA
SCHEMBL28540809 0.88 ALDH1A1 (0.53) MAPTMAPK1KMT2AALDH1A1LMNA
SCHEMBL28206001 0.88 MAPT (0.46) MAPTMAPK1KMT2AALDH1A1LMNA
SCHEMBL23865155 0.88 MAPT (0.53) MAPTMAPK1KMT2AALDH1A1LMNA
SCHEMBL20192085 0.88 MAPT (0.53) MAPTMAPK1KMT2AALDH1A1LMNA
SCHEMBL7538065 0.88 MAPT (0.53) MAPTMAPK1KMT2AALDH1A1LMNA

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-117946548-A Inkjet ink composition, ink set, recording method, and recording apparatus 精工爱普生株式会社 2024-04-30 CN disclosed