SCHEMBL28617660

SCHEMBL28617660

CC(=O)OC(C)Sc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
CYP3A4 P08684 1/20 0.43
LMNA P02545 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MTNR1A P48039 3/20 0.41
MTNR1B P49286 3/20 0.41
HPGD P15428 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
GAA P10253 2/20 0.40

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
SCHEMBL9427630 0.85 LMNA (0.42) ALDH1A1LMNAL3MBTL1SMN1; SMN2MTNR1A
SCHEMBL465266 0.83 LMNA (0.41) ALDH1A1LMNAL3MBTL1SMN1; SMN2GAA
SCHEMBL2392777 0.82 ELANE (0.41) ALDH1A1LMNAL3MBTL1SMN1; SMN2MTNR1A
SCHEMBL10767133 0.81 TSHR (0.52) ALDH1A1LMNASMN1; SMN2MAPTPOLB
SCHEMBL8896301 0.80 L3MBTL1 (0.42) ALDH1A1LMNAL3MBTL1SMN1; SMN2MTNR1A
SCHEMBL9422948 0.80 POLB (0.45) ALDH1A1LMNAL3MBTL1SMN1; SMN2GAA
SCHEMBL42561 0.79 LMNA (0.38) ALDH1A1LMNAL3MBTL1SMN1; SMN2MTNR1A
SCHEMBL4753583 0.78 ALDH1A1 (0.47) ALDH1A1LMNASMN1; SMN2HPGDGAA
SCHEMBL9048648 0.77 FAAH (0.41) ALDH1A1LMNAL3MBTL1SMN1; SMN2MTNR1A
SCHEMBL13973651 0.76 TDP1 (0.42) ALDH1A1CYP3A4L3MBTL1SMN1; SMN2MTNR1A

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-113329663-A Cosmetic unit 松下知识产权经营株式会社 2021-08-31 CN disclosed