SCHEMBL15225880

SCHEMBL15225880

Cc1ccccc1COC(CO)CO

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.42
FFAR1 O14842 2/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP1A2 P05177 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
CYP2A13 Q16696 1/20 0.36
GBA1 P04062 1/20 0.36
LMNA P02545 1/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
SLC1A5 Q15758 1/20 0.35
HPGD P15428 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CTBP2 P56545 1/20 0.35

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
SCHEMBL4846036 0.91 FFAR1 (0.40) MAOBFFAR1KDM4ECYP1A2TAAR1
SCHEMBL11557578 0.90 MAOB (0.39) MAOBFFAR1KDM4ECYP1A2TAAR1
SCHEMBL19122453 0.83 KDM4E (0.42) MAOBFFAR1KDM4ECYP1A2TAAR1
SCHEMBL11475385 0.79 KDM4E (0.39) MAOBFFAR1KDM4ECYP1A2TAAR1
SCHEMBL10851642 0.78 MAOB (0.44) MAOBFFAR1KDM4ECYP1A2TAAR1
SCHEMBL23343755 0.78 MAOB (0.46) MAOBTAAR1ADRA2AADRA2BADRA2C
SCHEMBL12936636 0.78 TAAR1 (0.43) MAOBFFAR1KDM4ETAAR1ADRA2A
SCHEMBL13383697 0.77 FFAR1 (0.40) MAOBFFAR1TAAR1ADRA2AADRA2B
SCHEMBL5967810 0.76 FFAR1 (0.38) MAOBFFAR1KDM4ECYP1A2TAAR1
SCHEMBL4846046 0.76 MAOB (0.45) MAOBFFAR1KDM4ETAAR1ADRA2A

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
EP-1570735-B1 Plant-activating agent KAO CORP (JP) 2013-09-04 EP disclosed