Butane

Butane

SCHEMBL28645193

C=CCC1(C(=O)CC)c2ccccc2-c2ccccc21.CCCC

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
APEX1 P27695 1/20 0.35
PDK2 Q15119 3/20 0.33
MTTP P55157 1/20 0.33
PGR P06401 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL5864017 0.79 THRB (0.48) THRBTDP1APEX1PDK2PGR
SCHEMBL5864282 0.78 MAPT (0.39) PDK2ALDH1A1MEN1KMT2AMAPT
SCHEMBL6649344 0.78 PDK2 (0.40) PDK2ALDH1A1MEN1POLBKMT2A
SCHEMBL6771024 0.78 THRB (0.39) THRBTDP1APEX1PDK2PGR
Hydrochloric Acid SCHEMBL6771034 0.78 THRB (0.47) THRBTDP1APEX1PDK2PGR
SCHEMBL6648109 0.77 TSHR (0.44) MTTPMEN1KMT2A
SCHEMBL6647281 0.77 PDK2 (0.41) THRBTDP1APEX1PDK2PGR
SCHEMBL2686286 0.73 MAPT (0.40) THRBTDP1APEX1PDK2ALDH1A1
SCHEMBL2687643 0.73 PDK2 (0.37) THRBTDP1APEX1PDK2MTTP
SCHEMBL2685891 0.72 THRB (0.37) THRBTDP1APEX1PDK2ALDH1A1

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-108137443-B Fluorene derivative, photopolymerization initiator containing same, and photoresist composition 克美 2021-06-08 CN disclosed