SCHEMBL10631528

SCHEMBL10631528

O=C(OCCOCCO)c1ccccc1Nc1ccccc1C(F)(F)F

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.67
CYP1A2 P05177 1/20 0.67
CYP2C9 P11712 1/20 0.67
CYP2C19 P33261 1/20 0.67
TAS2R14 Q9NYV8 2/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
FABP4 P15090 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CDC25B P30305 5/20 0.41
CDC25A P30304 1/20 0.41
CDC25C P30307 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL10631533 0.83 LMNA (0.78) LMNACYP1A2CYP2C9CYP2C19TAS2R14
Etofenamate SCHEMBL25152 0.81 LMNA (1.00) LMNACYP1A2CYP2C9CYP2C19AKR1C3
SCHEMBL27687313 0.79 LMNA (0.58) LMNACYP1A2CYP2C9CYP2C19L3MBTL1
Etofenamate SCHEMBL6836167 0.77 LMNA (0.92) LMNACYP1A2CYP2C9CYP2C19TAS2R14
SCHEMBL1532574 0.77 TSHR (0.61) LMNACYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL207925 0.77 TSHR (0.61) LMNACYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL28517439 0.77 TSHR (0.61) LMNACYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL11496942 0.77 TSHR (0.61) LMNACYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL31500791 0.77 TSHR (0.61) LMNACYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL12715082 0.75 LMNA (0.91) LMNACYP1A2CYP2C9CYP2C19AKR1C3

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-4731384-A ADJUVANTS, ANTIINFLAMMATORY AGENTS TROPONWERKE GMBH & CO, KG (DE) 1988-03-15 US claimed