SCHEMBL28247145

SCHEMBL28247145

CC1=Cc2ccccc2[C@H]1C(=O)[C@H]1C(C)=Cc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.38
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
HDAC4 P56524 4/20 0.33
HDAC7 Q8WUI4 2/20 0.33
HDAC5 Q9UQL6 2/20 0.33
MAPT P10636 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
POLB P06746 2/20 0.32
ATM Q13315 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
SCHEMBL27988028 0.72 LMNA (0.34) LMNAALDH1A1SMN1; SMN2TDP1MEN1
SCHEMBL28038419 0.72 LMNA (0.34) LMNAALDH1A1SMN1; SMN2TDP1MEN1
SCHEMBL8375501 0.72 LMNA (0.34) LMNAALDH1A1SMN1; SMN2TDP1MEN1
SCHEMBL12629758 0.72 MAOA (0.37) LMNAALDH1A1SMN1; SMN2TDP1MEN1
SCHEMBL28144269 0.72 CYP1A2 (0.33) LMNATDP1HDAC4HDAC7HDAC5
SCHEMBL8149969 0.72 LMNA (0.35) LMNAALDH1A1SMN1; SMN2TDP1
Hydrochloric Acid SCHEMBL27447709 0.71 CYP11B1 (0.33) LMNA
SCHEMBL2937446 0.71 POLB (0.47) LMNAALDH1A1SMN1; SMN2TDP1MEN1
SCHEMBL251288 0.70 DRD2 (0.41) LMNAALDH1A1SMN1; SMN2TDP1
SCHEMBL5090888 0.70 LMNA (0.33) LMNAALDH1A1SMN1; SMN2TDP1

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-108689815-A A kind of synthetic method of indanone compounds 郑州德瑞医药科技有限公司 2018-10-23 CN disclosed