SCHEMBL30780960

SCHEMBL30780960

CC(C)(C)C(C(N)=O)c1ccccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.47
GABRB2 P47870 1/20 0.47
TSHR P16473 4/20 0.42
MAPT P10636 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
ATM Q13315 1/20 0.39
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
ANO1 Q5XXA6 1/20 0.36
POLB P06746 2/20 0.35
MAPKAPK2 P49137 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
LMNA P02545 2/20 0.33
CA1 P00915 1/20 0.33

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
SCHEMBL17802737 0.85 GABRA1 (0.47) GABRA1GABRB2TSHRMAPTALDH1A1
SCHEMBL31662735 0.76 GABRA1 (0.56) GABRA1GABRB2TSHRMAPTALDH1A1
SCHEMBL860001 0.76 GABRA1 (0.56) GABRA1GABRB2TSHRMAPTALDH1A1
SCHEMBL1161818 0.75 GABRA1 (0.48) GABRA1GABRB2TSHRMAPTALDH1A1
SCHEMBL8596834 0.74 GABRA1 (0.46) GABRA1GABRB2TSHRMAPTALDH1A1
SCHEMBL8103071 0.74 GABRA1 (0.46) GABRA1GABRB2TSHRMAPTALDH1A1
SCHEMBL2416799 0.74 ATM (0.59) MAPTL3MBTL1ATMKMT2ALMNA
SCHEMBL1856534 0.73 GABRA1 (0.56) GABRA1GABRB2TSHRMAPTALDH1A1
Hydrochloric Acid SCHEMBL8619037 0.72 GABRA1 (0.45) GABRA1GABRB2TSHRMAPTALDH1A1
SCHEMBL10515048 0.72 TSHR (0.55) GABRA1GABRB2TSHRMAPTALDH1A1

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-2024030651-A1 GPX4 INHIBITORS AND USE THEREOF SONATA THERAPEUTICS, INC. (US) 2024-02-08 WO disclosed