SCHEMBL11464971

SCHEMBL11464971

CC(C)(C)c1cc(OC(N)=O)cc(C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
KIF11 P52732 2/20 0.42
RXRB P28702 4/20 0.39
RXRA P19793 3/20 0.39
RXRG P48443 2/20 0.39
PRSS1 P07477 1/20 0.37
ACR P10323 1/20 0.37
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
POLB P06746 1/20 0.35
ELANE P08246 1/20 0.35
CD69 Q07108 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL11463871 0.89 RXRB (0.41) MEN1KMT2AGABRA1GABRB2KIF11
SCHEMBL28756105 0.83 MEN1 (0.37) MEN1KMT2AKIF11PRSS1ACR
SCHEMBL80101 0.81 MEN1 (0.66) MEN1KMT2AKIF11RXRBRXRA
SCHEMBL14488840 0.81 CYP3A4 (0.47) MEN1KMT2AGABRA1GABRB2RXRB
SCHEMBL14220011 0.79 GABRA1 (0.43) MEN1KMT2AGABRA1GABRB2RXRB
SCHEMBL27468878 0.79 KIF11 (0.59) MEN1KMT2AKIF11PRSS1ACR
SCHEMBL377025 0.77 MAPT (0.42) MEN1KMT2AGABRA1GABRB2RXRB
SCHEMBL77964 0.76 GABRA1 (0.40) MEN1KMT2AGABRA1GABRB2RXRB
SCHEMBL1790890 0.76 ELANE (0.53) MEN1KMT2AGABRA1GABRB2RXRB
SCHEMBL150571 0.76 VCAM1 (0.39) MEN1KMT2AGABRA1GABRB2RXRA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113226377-A Antibody drug conjugates comprising an eltrinastine derivative 法马马有限公司 2021-08-06 CN disclosed
US-4226883-A Carbamate derivatives and method for manufacture thereof YAMAMOTO IZURU 1980-10-07 US disclosed