SCHEMBL9717827

SCHEMBL9717827

C=CCCCC=CCCOC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
USP2 O75604 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
CYP3A4 P08684 2/20 0.53
LMNA P02545 2/20 0.53
RECQL P46063 1/20 0.53
ALDH1A1 P00352 5/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.40
CHRM5 P08912 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
PGR P06401 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
HTR1A P08908 1/20 0.36
CHRNB2 P17787 1/20 0.36
TBXA2R P21731 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36

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
SCHEMBL9717823 1.00 MAPT (0.53) MAPTUSP2SMN1; SMN2CYP3A4LMNA
SCHEMBL6135463 0.94 MAPT (0.59) MAPTUSP2SMN1; SMN2CYP3A4LMNA
SCHEMBL834439 0.94 MAPT (0.59) MAPTUSP2SMN1; SMN2CYP3A4LMNA
SCHEMBL28666581 0.94 MAPT (0.59) MAPTUSP2SMN1; SMN2CYP3A4LMNA
SCHEMBL11490209 0.94 MAPT (0.59) MAPTUSP2SMN1; SMN2CYP3A4LMNA
SCHEMBL10888544 0.92 MAPT (0.53) MAPTUSP2SMN1; SMN2CYP3A4LMNA
SCHEMBL10886771 0.92 MAPT (0.53) MAPTUSP2SMN1; SMN2CYP3A4LMNA
SCHEMBL10886776 0.92 MAPT (0.53) MAPTUSP2SMN1; SMN2CYP3A4LMNA
SCHEMBL10888549 0.92 MAPT (0.53) MAPTUSP2SMN1; SMN2CYP3A4LMNA
SCHEMBL5716961 0.88 SMN1; SMN2 (0.44) MAPTUSP2SMN1; SMN2CYP3A4LMNA

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-5118837-A Reaction of olefinic double bond in presence of other, less reactive olefinic double bonds; modified ruthenium catalyst with trivalent phosphorus or nitrogen or divalent sulfur compound GIVAUDAN CORPORATION (US) 1992-06-02 US disclosed