SCHEMBL10631533

SCHEMBL10631533

O=C(OCCOCCO)c1ccccc1Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.78
CYP1A2 P05177 1/20 0.78
CYP2C9 P11712 1/20 0.78
CYP2C19 P33261 1/20 0.78
SIRT2 Q8IXJ6 3/20 0.46
RXFP1 Q9HBX9 2/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK8 P45983 1/20 0.43
YAP1 P46937 1/20 0.42
TEAD4 Q15561 1/20 0.42
TEAD2 Q15562 1/20 0.42
TAS2R14 Q9NYV8 7/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
PTGS1 P23219 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38

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
Etofenamate SCHEMBL25152 0.88 LMNA (1.00) LMNACYP1A2CYP2C9CYP2C19SIRT2
Etofenamate SCHEMBL6836167 0.84 LMNA (0.92) LMNACYP1A2CYP2C9CYP2C19SIRT2
SCHEMBL10631528 0.83 LMNA (0.67) LMNACYP1A2CYP2C9CYP2C19SIRT2
SCHEMBL28322767 0.82 TSHR (0.56) LMNACYP1A2CYP2C9CYP2C19SIRT2
SCHEMBL12715082 0.82 LMNA (0.91) LMNACYP1A2CYP2C9CYP2C19SIRT2
SCHEMBL22556586 0.82 CDC25B (0.56) LMNACYP1A2CYP2C9CYP2C19MAPT
SCHEMBL21765032 0.79 MAPT (0.69) LMNACYP1A2CYP2C9CYP2C19SIRT2
SCHEMBL27687313 0.77 LMNA (0.58) LMNACYP1A2CYP2C9CYP2C19MAPT
SCHEMBL207925 0.75 TSHR (0.61) LMNACYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL1532574 0.75 TSHR (0.61) LMNACYP1A2CYP2C9CYP2C19SMN1; 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 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