SCHEMBL25853442

SCHEMBL25853442

CCOC(=O)C[C@H](OC(=O)/C=C/C=C/c1ccccc1)C(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.45
LMNA P02545 3/20 0.45
NPC1 O15118 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 6/20 0.44
TSHR P16473 1/20 0.44
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
KDM4E B2RXH2 3/20 0.42
MMP1 P03956 1/20 0.41

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
SCHEMBL25853430 0.86 HDAC3 (0.44) RAB9ALMNANPC1SMN1; SMN2L3MBTL1
SCHEMBL25853432 0.86 HDAC3 (0.44) RAB9ALMNANPC1SMN1; SMN2L3MBTL1
SCHEMBL30528014 0.85 AKR1B10 (0.41) RAB9ALMNANPC1SMN1; SMN2L3MBTL1
SCHEMBL3685507 0.82 CA12 (0.57) RAB9ALMNANPC1SMN1; SMN2L3MBTL1
SCHEMBL3685506 0.82 CA12 (0.57) RAB9ALMNANPC1SMN1; SMN2L3MBTL1
SCHEMBL3685508 0.82 CA12 (0.57) RAB9ALMNANPC1SMN1; SMN2L3MBTL1
SCHEMBL5613524 0.82 CA12 (0.57) RAB9ALMNANPC1SMN1; SMN2L3MBTL1
SCHEMBL5020560 0.82 CA12 (0.57) RAB9ALMNANPC1SMN1; SMN2L3MBTL1
SCHEMBL25299709 0.79 MMP1 (0.47) LMNANPC1ALDH1A1HDAC3HDAC4
SCHEMBL25299710 0.79 MMP1 (0.47) LMNANPC1ALDH1A1HDAC3HDAC4

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
WO-2023131362-A1 PHENYLPROPANOID DERIVATIVES USTAV EXPERIMENTALNI BOTANIKY AV ČR, V. V. I. (CZ) 2023-07-13 WO disclosed
WO-2023131362-A1 PHENYLPROPANOID DERIVATIVES USTAV EXPERIMENTALNI BOTANIKY AV ČR, V. V. I. (CZ) 2023-07-13 WO disclosed