SCHEMBL31606446

SCHEMBL31606446

COc1ccc(C(OCC(O)C(C)NC(=O)CCCCCCC(=O)O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ ASAH1 Q13510 1/20 0.42
▸ ACER2 Q5QJU3 1/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.41
▸ PDE4B Q07343 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ HTR1A P08908 2/20 0.38
▸ DRD2 P14416 2/20 0.38
▸ HTR7 P34969 2/20 0.38
▸ HTR6 P50406 2/20 0.38
▸ LTB4R Q15722 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL20371134 0.88 GAA (0.45) GAAALDH1A1KMT2AHDAC6PDE4B
SCHEMBL24383281 0.82 ALDH1A1 (0.44) ALDH1A1KMT2AASAH1HDAC6PDE4B
SCHEMBL20149858 0.80 ALDH1A1 (0.46) GAAALDH1A1KMT2AHDAC6PDE4B
SCHEMBL28349581 0.80 HDAC6 (0.44) ALDH1A1HDAC6CYP3A4CYP2C9SMN1; SMN2
SCHEMBL5964225 0.80 GAA (0.43) GAAALDH1A1KMT2AHDAC6HTR1A
SCHEMBL3839548 0.80 GAA (0.43) GAAALDH1A1KMT2AHDAC6HTR1A
SCHEMBL30910298 0.80 HDAC6 (0.44) ALDH1A1HDAC6CYP3A4CYP2C9SMN1; SMN2
SCHEMBL28349292 0.79 GAA (0.43) GAAALDH1A1KMT2AHDAC6PDE4B
SCHEMBL20371135 0.79 HDAC6 (0.43) GAAALDH1A1KMT2AASAH1ACER2
SCHEMBL28349578 0.79 MEN1 (0.45) ALDH1A1KMT2AHDAC6CYP3A4CYP2C9

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-2025109631-A1 SYNTHETIC DELIVERY SYSTEMS AND CONJUGATES THEREOF MICRO CRISPR PVT. LTD. (IN) 2025-05-30 — — WO claimed
WO-2025109631-A1 SYNTHETIC DELIVERY SYSTEMS AND CONJUGATES THEREOF MICRO CRISPR PVT. LTD. (IN) 2025-05-30 — — WO disclosed
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