SCHEMBL28575879

SCHEMBL28575879

COC(=O)C(c1ccc(Cl)cc1)c1ccccc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.51
L3MBTL1 Q9Y468 5/20 0.47
LMNA P02545 3/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
LPAR1 Q92633 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
UTS2R Q9UKP6 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL27486101 0.87 KMT2A (0.55) L3MBTL1ALDH1A1MEN1KMT2AMAPT
SCHEMBL28572102 0.84 NPSR1 (0.45) ATML3MBTL1LMNAALDH1A1SMN1; SMN2
SCHEMBL1978245 0.82 HDAC4 (0.57) L3MBTL1ALDH1A1HDAC4HDAC7HDAC5
SCHEMBL18547195 0.82 HDAC4 (0.57) L3MBTL1ALDH1A1HDAC4HDAC7HDAC5
SCHEMBL16807283 0.79 L3MBTL1 (0.49) ATML3MBTL1LMNAALDH1A1SMN1; SMN2
SCHEMBL27965733 0.76 ESR1 (0.44) ALDH1A1KMT2ACYP2D6CYP2C19CNR1
SCHEMBL27965750 0.76 L3MBTL1 (0.50) L3MBTL1HDAC4HDAC7HDAC5
SCHEMBL27456672 0.74 MEN1 (0.50) L3MBTL1LMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL9336726 0.74 KMT2A (0.53) L3MBTL1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL20855925 0.72 ALDH1A1 (0.40) L3MBTL1LMNAALDH1A1SMN1; SMN2LPAR1

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-108929226-B Method for preparing benzoyl formate derivative 广东工业大学 2021-05-28 CN claimed
CN-108929226-B Method for preparing benzoyl formate derivative 广东工业大学 2021-05-28 CN disclosed