SCHEMBL8046467

SCHEMBL8046467

CCOC(=O)CCCCCC(C#N)(c1ccc(OC)cc1)c1ccc(OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.41
ALOX15 P16050 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
TBXAS1 P24557 3/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
BRD4 O60885 1/20 0.37
KCNA3 P22001 1/20 0.37
OPRM1 P35372 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL8045896 1.00 CCR1 (0.41) CCR1ALOX15L3MBTL1TBXAS1MAPT
SCHEMBL8052660 0.91 PPARG (0.43) CCR1L3MBTL1MAPTALDH1A1KDM4E
SCHEMBL8046393 0.90 L3MBTL1 (0.44) L3MBTL1MAPTALDH1A1KDM4ENPSR1
SCHEMBL8046383 0.89 CYP4F2 (0.40) ALOX15TBXAS1ALDH1A1KDM4EHPGD
SCHEMBL8035567 0.88 CA12 (0.40) ALOX15ALDH1A1KMT2ACYP4F2CYP4A11
SCHEMBL8044912 0.87 POLB (0.36) ALOX15L3MBTL1MAPTALDH1A1KMT2A
SCHEMBL8053206 0.86 FAAH (0.44) CCR1ALOX15MAPTALDH1A1NPSR1
SCHEMBL8049892 0.86 OPRM1 (0.48) CCR1TBXAS1ALDH1A1SMN1; SMN2CYP4F2
SCHEMBL8044856 0.86 OPRM1 (0.48) CCR1TBXAS1ALDH1A1SMN1; SMN2CYP4F2
SCHEMBL7824585 0.85 OPRM1 (0.46) CCR1ALOX15L3MBTL1MAPTALDH1A1

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-0749957-B1 Aromatic hydroxamic acid compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-04-26 EP disclosed
US-5891916-A ANTINEUROGEGERATIVE AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-04-06 US disclosed
EP-0749957-A1 Aromatic hydroxamic acid compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1996-12-27 EP disclosed