SCHEMBL8535929

SCHEMBL8535929

COC(=O)CC(C)C(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.49
KMT2A Q03164 6/20 0.49
USP2 O75604 1/20 0.48
TSHR P16473 1/20 0.47
PGR P06401 1/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
HTR2A P28223 1/20 0.46
HRH1 P35367 1/20 0.46
KCNH2 Q12809 1/20 0.46
ESRRB O95718 1/20 0.46
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
AKT1 P31749 1/20 0.44
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL9734549 0.84 CA1 (0.48) KCNA5KMT2ATSHRESRRBALDH1A1
SCHEMBL6512379 0.83 KCNA5 (0.47) KCNA5KMT2AUSP2TSHRPGR
SCHEMBL11732434 0.83 KMT2A (0.53) KMT2AUSP2TSHRPGRADRA2A
SCHEMBL9733728 0.83 ALDH1A1 (0.51) KMT2AALDH1A1LMNAMEN1TDP1
SCHEMBL9780181 0.83 KCNA5 (0.38) KCNA5KMT2AUSP2ADRA2BESRRB
SCHEMBL8594326 0.83 MAOB (0.57) ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL22076551 0.82 KMT2A (0.49) KCNA5KMT2ATSHRPGRADRA2A
SCHEMBL10696373 0.81 CES2 (0.54) KMT2ATSHRALDH1A1MEN1SMN1; SMN2
SCHEMBL8823315 0.81 PGR (0.52) KMT2ATSHRPGRADRA2AADRA2B
SCHEMBL135357 0.81 PGR (0.52) KMT2ATSHRPGRADRA2AADRA2B

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-1216522-A Therapeutic agent for diabetes JAPAN TOBACCO INC (JP) 1999-05-12 CN disclosed
EP-0885869-A1 THERAPEUTIC AGENT FOR DIABETES Japan Tobacco Inc. (JP) 1998-12-23 EP disclosed