SCHEMBL5481253

SCHEMBL5481253

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.37
CYP1A2 P05177 2/20 0.36
AGTR1 P30556 1/20 0.36
LMNA P02545 1/20 0.36
FBP1 P09467 2/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
AKR1C3 P42330 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
RECQL P46063 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GRIK1 P39086 1/20 0.33
GRIK2 Q13002 1/20 0.33
AKR1C1 Q04828 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NR1I2 O75469 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
SCHEMBL7625514 0.78 MCL1 (0.43) MCL1LMNAFBP1ALDH1A1TSHR
SCHEMBL5823755 0.77 CYP1A2 (0.37) CYP1A2AGTR1LMNAFBP1ALDH1A1
SCHEMBL5823757 0.77 CYP1A2 (0.37) CYP1A2AGTR1LMNAFBP1ALDH1A1
SCHEMBL30189586 0.76 CYP3A4 (0.56) FBP1AKR1C3CYP3A4CYP2C9RECQL
SCHEMBL5481257 0.73 CYP1A2 (0.40) CYP1A2AGTR1LMNAFBP1ALDH1A1
SCHEMBL8553716 0.73 KDM1A (0.46) MCL1LMNAFBP1ALDH1A1TSHR
SCHEMBL9764639 0.72 CYP3A4 (0.55) MCL1LMNAFBP1ALDH1A1TSHR
SCHEMBL10492917 0.70 MCL1 (0.40) MCL1LMNAFBP1ALDH1A1TSHR
SCHEMBL14690678 0.70 KEAP1 (0.48) MCL1LMNAALDH1A1CYP3A4CYP2C9
Acetic Acid SCHEMBL28906961 0.70 LMNA (0.48) LMNAFBP1ALDH1A1TSHRAKR1C3

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-20070081969-A1 Dissemination apparatus GIVAUDAN SA (CH) 2007-04-12 US disclosed