SCHEMBL31307754

SCHEMBL31307754

BrCc1ccc(OCc2cccc3ccccc23)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.62
AKR1B1 P15121 1/20 0.62
PARP10 Q53GL7 2/20 0.58
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.48
F2 P00734 2/20 0.47
MAOB P27338 2/20 0.46
PARP15 Q460N3 1/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
LTA4H P09960 1/20 0.45
PLA2G2A P14555 1/20 0.45

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
SCHEMBL123733 1.00 FFAR1 (0.62) FFAR1AKR1B1PARP10MEN1KMT2A
SCHEMBL10349749 0.88 PARP10 (0.71) FFAR1AKR1B1PARP10MEN1KMT2A
SCHEMBL118468 0.84 FFAR1 (0.66) FFAR1AKR1B1PARP10MEN1KMT2A
SCHEMBL5609808 0.83 NPC1 (0.64) FFAR1AKR1B1PARP10MEN1KMT2A
SCHEMBL2516394 0.81 PARP10 (0.68) FFAR1AKR1B1PARP10MEN1KMT2A
SCHEMBL9464001 0.81 MAOB (0.49) FFAR1PARP10LMNAF2MAOB
SCHEMBL15249121 0.80 PARP10 (0.61) FFAR1AKR1B1PARP10MEN1KMT2A
SCHEMBL25034484 0.79 FFAR1 (0.76) FFAR1AKR1B1PARP10MEN1KMT2A
SCHEMBL30874126 0.79 FFAR1 (0.76) FFAR1AKR1B1PARP10MEN1KMT2A
SCHEMBL20024703 0.79 NPC1 (0.61) FFAR1AKR1B1PARP10MEN1KMT2A

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
CN-118994022-A Preparation method of 1-methyl-4-phenyl ether derivative and application of non-classical antibacterial activity 中国人民解放军军事科学院军事医学研究院 2024-11-22 CN disclosed