SCHEMBL25219286

SCHEMBL25219286

COC1CC(OC(=O)c2ccccc2)C1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 6/20 0.62
HTR3E A5X5Y0 1/20 0.62
HTR3B O95264 1/20 0.62
HTR3A P46098 1/20 0.62
HTR3D Q70Z44 1/20 0.62
HTR3C Q8WXA8 1/20 0.62
APOBEC3A P31941 1/20 0.60
APOBEC3G Q9HC16 1/20 0.60
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
GAA P10253 1/20 0.55
TSHR P16473 2/20 0.52
F2 P00734 1/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL25529577 1.00 CHRNA7 (0.62) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL23350433 0.82 CHRNA7 (0.61) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL28376780 0.82 CHRNA7 (0.62) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL4152261 0.81 CHRNA7 (0.65) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL31196944 0.81 CHRNA7 (0.65) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL31000123 0.81 CHRNA7 (0.57) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL31000129 0.80 CHRNA7 (0.63) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL29893635 0.80 CHRNA7 (0.63) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL1784852 0.80 CHRNA7 (0.63) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL20344464 0.79 CHRNA7 (0.55) CHRNA7HTR3EHTR3BHTR3AHTR3D

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
WO-2023091726-A1 INHIBITORS OF CYCLIN‑DEPENDENT KINASE 12 (CDK12) SYROS PHARMACEUTICALS, INC. (US) 2023-05-25 WO disclosed