SCHEMBL9120971

SCHEMBL9120971

CCOC(=O)CCCCCCOC(Cc1ccccc1CCCCCCOC1CCCCO1)C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.44
CYP4A11 Q02928 2/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MGLL Q99685 1/20 0.40
SLC6A3 Q01959 2/20 0.35
NAMPT P43490 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TBXA2R P21731 1/20 0.34
ADORA3 P0DMS8 1/20 0.34

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
SCHEMBL9121608 1.00 CYP4F2 (0.44) CYP4F2CYP4A11MEN1KMT2AMGLL
SCHEMBL9120024 1.00 CYP4F2 (0.44) CYP4F2CYP4A11MEN1KMT2AMGLL
SCHEMBL8463856 0.98 CYP4F2 (0.41) CYP4F2CYP4A11MEN1KMT2AMGLL
SCHEMBL9121368 0.94 MEN1 (0.43) CYP4F2CYP4A11MEN1KMT2AMGLL
SCHEMBL9120035 0.87 MEN1 (0.42) MEN1KMT2AMGLLSLC6A3ADORA3
SCHEMBL8799817 0.86 MEN1 (0.43) MEN1KMT2AMGLLSLC6A3ADORA3
SCHEMBL8799956 0.86 MEN1 (0.42) MEN1KMT2AMGLLSLC6A3ADORA3
SCHEMBL8799592 0.86 MEN1 (0.42) MEN1KMT2ASLC6A3SMN1; SMN2ADORA3
Methane SCHEMBL8799260 0.85 MEN1 (0.40) MEN1KMT2AMGLLSLC6A3CYP1A2
SCHEMBL9120025 0.85 MEN1 (0.41) MEN1KMT2AMGLLSLC6A3ADORA3

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
US-5434186-A Antiinflammatory agents HOFFMANN-LA ROCHE INC. (US) 1995-07-18 US disclosed
US-5273999-A A 4-keto-boroalkyleneoxychroman or 2,3-dihydrobenzofuran derivative HOFFMANN-LA ROCHE INC. (US) 1993-12-28 US disclosed
EP-0531823-A1 Bicyclic carboxylic acid derivatives as anti-inflammatory agents F. HOFFMANN-LA ROCHE AG (CH) 1993-03-17 EP disclosed