SCHEMBL5481257

SCHEMBL5481257

O=[C]C(=Cc1ccccc1)OCC(O)CO

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.40
KDM4E B2RXH2 3/20 0.40
LMNA P02545 2/20 0.40
AGTR1 P30556 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP2C19 P33261 1/20 0.38
ADORA3 P0DMS8 2/20 0.33
ALDH1A1 P00352 2/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NR1I2 O75469 1/20 0.33
FBP1 P09467 1/20 0.33
APP P05067 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32

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
SCHEMBL7667988 0.80 MEN1 (0.43) LMNAMEN1KMT2AALDH1A1NR1I2
SCHEMBL7666081 0.78 MEN1 (0.41) MEN1KMT2AALDH1A1NR1I2FBP1
SCHEMBL9135507 0.76 MEN1 (0.44) CYP1A2KDM4ELMNAAGTR1MEN1
SCHEMBL7668304 0.76 MEN1 (0.59) CYP1A2KDM4ELMNAMEN1KMT2A
SCHEMBL7659657 0.74 ESR1 (0.42) CYP1A2KDM4EMEN1KMT2AALDH1A1
SCHEMBL8750900 0.74 MEN1 (0.39) CYP1A2KDM4ELMNAAGTR1MEN1
SCHEMBL5481253 0.73 MCL1 (0.37) CYP1A2KDM4ELMNAAGTR1MEN1
SCHEMBL9134495 0.72 MEN1 (0.44) CYP1A2KDM4ELMNAAGTR1MEN1
SCHEMBL4212354 0.72 MEN1 (0.44) CYP1A2KDM4ELMNAAGTR1MEN1
SCHEMBL7660492 0.72 MEN1 (0.42) LMNAMEN1KMT2AALDH1A1SMN1; SMN2

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-20070081969-A1 Dissemination apparatus GIVAUDAN SA (CH) 2007-04-12 US disclosed
CN-1878572-A Dissemination apparatus GIVAUDAN SA (CH) 2006-12-13 CN disclosed