SCHEMBL32234906

SCHEMBL32234906

CC(C)(C)CC#Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
THPO P40225 1/20 0.52
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
HTR2A P28223 1/20 0.48
APP P05067 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.43
SIGMAR1 Q99720 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 3/20 0.41
HTT P42858 1/20 0.41
HRH3 Q9Y5N1 1/20 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
SCHEMBL2156550 0.78 CYP1A2 (0.44) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL2092478 0.73 NPSR1 (0.63) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL9784153 0.73 NPSR1 (0.63) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL28469893 0.72 CYP1A2 (0.64) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL10768214 0.72 CYP1A2 (0.64) CYP1A2CYP3A4CYP2C9CYP2C19THPO
Hydrochloric Acid SCHEMBL7362587 0.71 NPSR1 (0.61) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL7207290 0.71 NPSR1 (0.42) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL8499739 0.71 CYP1A2 (0.50) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL28973803 0.70 CYP1A2 (0.61) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL9784179 0.70 CYP1A2 (0.54) CYP1A2CYP3A4CYP2C9CYP2C19THPO

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-122036583-A Method for synthesizing gamma-lactam derivative by cobalt catalytic cyclization 华南理工大学 2026-05-15 CN disclosed