SCHEMBL3983744

SCHEMBL3983744

C=CCCCC(C)COC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 4/20 0.56
MAPT P10636 4/20 0.56
CYP3A4 P08684 3/20 0.56
ALDH1A1 P00352 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HPGD P15428 1/20 0.56
LMNA P02545 2/20 0.54
RECQL P46063 1/20 0.54
ALOX15 P16050 1/20 0.41
TSHR P16473 3/20 0.40
PTPN1 P18031 1/20 0.40
PLA2G2C Q5R387 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
ABCC4 O15439 1/20 0.33
FAAH O00519 1/20 0.33
MGLL Q99685 1/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL1472646 0.81 PTPN1 (0.42) USP2MAPTCYP3A4ALDH1A1SMN1; SMN2
SCHEMBL14232705 0.79 ALOX15 (0.49) USP2MAPTCYP3A4ALDH1A1SMN1; SMN2
SCHEMBL22689608 0.78 TDP1 (0.45) USP2MAPTCYP3A4ALDH1A1SMN1; SMN2
SCHEMBL22873853 0.78 USP2 (0.59) USP2MAPTCYP3A4ALDH1A1SMN1; SMN2
SCHEMBL995233 0.77 PTPN1 (0.56) USP2MAPTCYP3A4ALDH1A1SMN1; SMN2
SCHEMBL20630298 0.77 ALDH1A1 (0.50) USP2MAPTCYP3A4ALDH1A1SMN1; SMN2
SCHEMBL11821362 0.77 ALDH1A1 (0.50) MAPTCYP3A4ALDH1A1LMNAALOX15
SCHEMBL19302152 0.77 PTPN1 (0.40) USP2MAPTCYP3A4ALDH1A1SMN1; SMN2
SCHEMBL9848383 0.76 PTPN1 (0.39) USP2MAPTCYP3A4ALDH1A1SMN1; SMN2
SCHEMBL14540311 0.76 PTPN1 (0.46) USP2MAPTCYP3A4ALDH1A1SMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1869150-B2 PERFUME COMPOSITIONS GIVAUDAN SA (CH) 2016-08-31 EP claimed
WO-2009052643-A1 ANTI-MALODOUR COMPOSITIONS GIVAUDAN SA (CH) 2009-04-30 WO claimed
EP-1869150-A1 PERFUME COMPOSITIONS Quest International Services B.V. (NL) 2007-12-26 EP claimed
WO-2006109078-A1 PERFUME COMPOSITIONS QUEST INTERNATIONAL SERVICES B.V. (NL) 2006-10-19 WO claimed
EP-1869150-B2 PERFUME COMPOSITIONS GIVAUDAN SA (CH) 2016-08-31 EP disclosed
WO-2009052643-A1 ANTI-MALODOUR COMPOSITIONS GIVAUDAN SA (CH) 2009-04-30 WO disclosed
EP-1869150-A1 PERFUME COMPOSITIONS Quest International Services B.V. (NL) 2007-12-26 EP disclosed
WO-2006109078-A1 PERFUME COMPOSITIONS QUEST INTERNATIONAL SERVICES B.V. (NL) 2006-10-19 WO disclosed