SCHEMBL25367299

SCHEMBL25367299

Cc1ccc(OCCCC(=O)OC(C)(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.56
HDAC8 Q9BY41 1/20 0.52
HPGD P15428 2/20 0.50
HTT P42858 1/20 0.50
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
PPARA Q07869 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 1/20 0.47
NPC1 O15118 1/20 0.45
ATAD2 Q6PL18 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL25363631 0.86 POLB (0.54) HDAC8MEN1KMT2AALDH1A1NPC1
SCHEMBL7472706 0.86 HDAC8 (0.48) L3MBTL1HDAC8
SCHEMBL6439701 0.86 PPARA (0.54) L3MBTL1HDAC8HTTPPARA
SCHEMBL25362868 0.86 SMN1; SMN2 (0.49) HDAC8
SCHEMBL16673260 0.85 L3MBTL1 (0.52) L3MBTL1HPGDPPARAMEN1KMT2A
SCHEMBL18720317 0.84 PLA2G4B (0.57) L3MBTL1HTTALDH1A1POLB
SCHEMBL3170185 0.84 HDAC8 (0.43) L3MBTL1HDAC8ALDH1A1POLB
SCHEMBL25364367 0.83 HDAC8 (0.44) L3MBTL1HDAC8POLB
SCHEMBL25364810 0.83 L3MBTL1 (0.53) L3MBTL1CYP1A2MEN1KMT2AALDH1A1
SCHEMBL25364212 0.82 HDAC8 (0.43) L3MBTL1HDAC8POLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4216946-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS Achillion Pharmaceuticals, Inc. (US) 2023-08-02 EP disclosed
CN-116437913-A Pharmaceutical compounds for treating complement-mediated disorders 艾其林医药公司 2023-07-14 CN disclosed
WO-2022066774-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2022-03-31 WO disclosed