SCHEMBL8399059

SCHEMBL8399059

CO/N=C\C(=O)N(C)c1ccccc1COc1cc(C)ccc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
TSHR P16473 2/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
CYP2C9 P11712 2/20 0.37
PPARA Q07869 2/20 0.37
TTR P02766 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C8 P10632 1/20 0.37
CHRM1 P11229 1/20 0.37
ADRA1A P35348 1/20 0.37
PPARG P37231 1/20 0.37
HTR2B P41595 1/20 0.37
SLCO1B3 Q9NPD5 1/20 0.37
CISD1 Q9NZ45 1/20 0.37
SLCO1B1 Q9Y6L6 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL896797 1.00 SMN1; SMN2 (0.40) SMN1; SMN2PTGDR2TSHRMAPTNPC1
SCHEMBL7646069 1.00 SMN1; SMN2 (0.40) SMN1; SMN2PTGDR2TSHRMAPTNPC1
SCHEMBL8397935 0.92 MRGPRX4 (0.41) SMN1; SMN2TSHRMAPTNPC1RAB9A
SCHEMBL8519544 0.90 PTGDR2 (0.38) SMN1; SMN2PTGDR2TSHRMAPTNPC1
SCHEMBL8396050 0.89 RECQL (0.44) PTGDR2MAPTTDP1CYP1A2ALDH1A1
SCHEMBL8398007 0.88 SMN1; SMN2 (0.39) SMN1; SMN2PTGDR2TSHRMAPTNPC1
SCHEMBL8424504 0.85 PTGDR2 (0.42) SMN1; SMN2PTGDR2TSHRMAPTNPC1
SCHEMBL8400501 0.84 FFAR1 (0.40) MAPTNPC1ALDH1A1HTTLMNA
SCHEMBL9279878 0.84 PTGDR2 (0.41) SMN1; SMN2PTGDR2TSHRMAPTNPC1
SCHEMBL8397983 0.84 TDP1 (0.41) SMN1; SMN2MAPTNPC1RAB9ATDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0644183-B1 Process of producing N-alkylacetamides SHIONOGI & CO (JP) 1999-06-02 EP disclosed
US-5498792-A Process of producing N-alkylacetamides SHIONOGI & CO., LTD. (JP) 1996-03-12 US disclosed
EP-0644183-A2 Process of producing N-alkylacetamides SHIONOGI & CO., LTD. (JP) 1995-03-22 EP disclosed