SCHEMBL7249592

SCHEMBL7249592

CCCCCCC(O)COc1ccccc1-c1nc(-c2ccccc2OCC(O)CCCCCC)nc(-c2ccccc2OCC(O)CCCCCC)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ADRB2 P07550 2/20 0.40
ADRB1 P08588 1/20 0.40
CYP1A2 P05177 3/20 0.40
CYP19A1 P11511 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALOX15 P16050 2/20 0.40
PPARG P37231 2/20 0.39
PDE5A O76074 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
AGTR1 P30556 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL6054718 0.92 ADRB2 (0.43) KMT2AMEN1ADRB2ADRB1CYP1A2
SCHEMBL30564892 0.91 ABCB1 (0.39) KMT2AMEN1ADRB2ADRB1CYP1A2
SCHEMBL6397184 0.91 ABCB1 (0.39) KMT2AMEN1ADRB2ADRB1CYP1A2
SCHEMBL4791407 0.89 KMT2A (0.38) KMT2AMEN1ADRB2ADRB1CYP1A2
SCHEMBL5602698 0.89 KMT2A (0.38) KMT2AMEN1ADRB2ADRB1CYP1A2
SCHEMBL1424637 0.89 KMT2A (0.38) KMT2AMEN1ADRB2ADRB1CYP1A2
SCHEMBL30798102 0.89 KMT2A (0.38) KMT2AMEN1ADRB2ADRB1CYP1A2
SCHEMBL79499 0.88 ADRB2 (0.46) KMT2AMEN1ADRB2ADRB1CYP1A2
SCHEMBL4455828 0.83 KMT2A (0.41) KMT2AMEN1ADRB2ADRB1CYP1A2
SCHEMBL2004527 0.81 ADRB2 (0.39) KMT2AMEN1ADRB2ADRB1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030013784-A1 Stabilizer mixture GUGUMUS FRANCOIS (CH) 2003-01-16 US disclosed