SCHEMBL9703054

SCHEMBL9703054

CC(C)CC(=O)Cn1ccc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.61
NTSR1 P30989 2/20 0.56
MAPK1 P28482 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
LMNA P02545 2/20 0.49
CDK4 P11802 4/20 0.49
CCND1 P24385 4/20 0.49
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
NPY5R Q15761 1/20 0.44
NOTUM Q6P988 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL24814484 0.81 KMT2A (0.65) KMT2ANTSR1MAPK1CYP1A2CYP3A4
SCHEMBL30074152 0.78 KMT2A (0.71) KMT2ANTSR1MAPK1CYP1A2CYP3A4
SCHEMBL9701534 0.78 KMT2A (0.71) KMT2ANTSR1MAPK1CYP1A2CYP3A4
SCHEMBL6679035 0.78 KMT2A (0.65) KMT2ANTSR1MAPK1CYP1A2CYP3A4
SCHEMBL29420405 0.76 KMT2A (1.00) KMT2ANTSR1MAPK1CYP1A2CYP3A4
SCHEMBL1598786 0.76 KMT2A (1.00) KMT2ANTSR1MAPK1CYP1A2CYP3A4
SCHEMBL1519806 0.75 KMT2A (0.71) KMT2ANTSR1MAPK1CYP1A2CYP3A4
SCHEMBL29955957 0.75 KMT2A (0.71) KMT2ANTSR1MAPK1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL25303352 0.75 KMT2A (0.96) KMT2ANTSR1MAPK1CYP1A2CYP3A4
SCHEMBL16286740 0.75 KMT2A (0.71) KMT2ANTSR1MAPK1CYP1A2CYP3A4

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
US-5132319-A Antiasthmatic, antiinflammatory, antiallergen and cytoprotective agents MERCK FROSST CANADA, INC. (CA) 1992-07-21 US disclosed