SCHEMBL28987372

SCHEMBL28987372

CC1(C)C2CCC1(C)C(OC(=O)c1ccc(C=O)cc1)C2

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.75
MAPK1 P28482 2/20 0.75
KMT2A Q03164 2/20 0.75
MEN1 O00255 1/20 0.59
CYP2C19 P33261 1/20 0.56
ELANE P08246 2/20 0.55
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.52
XBP1 P17861 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
CYP19A1 P11511 2/20 0.50
SHBG P04278 1/20 0.49
ALDH1A1 P00352 3/20 0.45
LMNA P02545 1/20 0.44

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
SCHEMBL31540152 0.91 MAPT (0.89) MAPTMAPK1KMT2AMEN1CYP2C19
SCHEMBL20100924 0.86 MAPT (1.00) MAPTMAPK1KMT2AMEN1CYP2C19
SCHEMBL28880629 0.86 MAPT (1.00) MAPTMAPK1KMT2AMEN1CYP2C19
SCHEMBL20100948 0.85 MAPT (0.79) MAPTMAPK1KMT2AMEN1CYP2C19
SCHEMBL17951346 0.85 MAPT (0.79) MAPTMAPK1KMT2AMEN1CYP2C19
SCHEMBL309536 0.84 MAPT (0.78) MAPTMAPK1KMT2AMEN1CYP2C19
SCHEMBL29022975 0.84 MAPT (0.78) MAPTMAPK1KMT2AMEN1CYP2C19
SCHEMBL28793590 0.84 MAPT (0.77) MAPTMAPK1KMT2AMEN1CYP2C19
SCHEMBL27219411 0.84 MAPT (0.77) MAPTMAPK1KMT2AMEN1CYP2C19
SCHEMBL27843399 0.84 MAPT (0.77) MAPTMAPK1KMT2AMEN1CYP2C19

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115975242-A Biocompatible sterilization anti-adhesion PET material and preparation method and application thereof 北京化工大学 2023-04-18 CN claimed
CN-115975242-A Biocompatible sterilization anti-adhesion PET material and preparation method and application thereof 北京化工大学 2023-04-18 CN disclosed