SCHEMBL27199826

SCHEMBL27199826

CC(=CCCCOc1ccc(C(C)(C)c2ccc(OCCCC=C(C)C(=O)O)cc2)cc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.54
ALDH1A1 P00352 9/20 0.54
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
HTT P42858 2/20 0.54
POLB P06746 3/20 0.52
SMN1; SMN2 Q16637 5/20 0.51
GAA P10253 3/20 0.51
LMNA P02545 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
MAPT P10636 1/20 0.47
PPARA Q07869 1/20 0.42
MITF O75030 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL8008157 0.89 KDM4E (0.43) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL866542 0.89 KDM4E (0.60) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL819986 0.83 L3MBTL1 (0.53) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3865671 0.81 L3MBTL1 (0.47) ALDH1A1GAAMAPTL3MBTL1
SCHEMBL4828682 0.79 KCNA3 (0.52) KDM4EALDH1A1SMN1; SMN2GAATDP1
SCHEMBL21644486 0.79 POLB (0.45) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL17237799 0.78 NR5A1 (0.53) GAAL3MBTL1
SCHEMBL17237835 0.78 NR5A1 (0.53) GAAL3MBTL1
SCHEMBL17556007 0.78 L3MBTL1 (0.50) GAAL3MBTL1
SCHEMBL17556033 0.78 L3MBTL1 (0.50) GAAL3MBTL1

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
US-11965094-B2 Curable organopolysiloxane compositions WACKER CHEMIE AG (DE) 2024-04-23 US disclosed
EP-3642284-B1 CURABLE ORGANOPOLYSILOXANE COMPOSITIONS WACKER CHEMIE AG (DE) 2022-06-01 EP disclosed