SCHEMBL8912909

SCHEMBL8912909

CCCCCCCCCCC1OC1COC(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.52
LMNA P02545 3/20 0.49
PTPN1 P18031 2/20 0.48
ACP1 P24666 2/20 0.48
CDC25B P30305 2/20 0.48
ALDH1A1 P00352 3/20 0.48
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
TSHR P16473 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NAAA Q02083 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA5 P30532 1/20 0.41

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
SCHEMBL8913447 1.00 CTSK (0.52) CTSKLMNAPTPN1ACP1CDC25B
SCHEMBL8914254 1.00 CTSK (0.52) CTSKLMNAPTPN1ACP1CDC25B
SCHEMBL10409114 0.92 ALDH1A1 (0.47) CTSKLMNAPTPN1ACP1CDC25B
SCHEMBL12959082 0.89 LMNA (0.54) LMNAPTPN1ACP1CDC25BALDH1A1
SCHEMBL9615853 0.85 ALDH1A1 (0.47) CTSKLMNAALDH1A1TDP1NPC1
SCHEMBL10350273 0.82 ALDH1A1 (0.60) LMNAALDH1A1NPC1MAPTRAB9A
SCHEMBL10572757 0.78 ALDH1A1 (0.52) LMNAALDH1A1TDP1NPC1TSHR
SCHEMBL10572764 0.78 ALDH1A1 (0.52) LMNAALDH1A1TDP1NPC1TSHR
Benzoic Acid SCHEMBL8914265 0.78 CTSK (0.46) CTSKALDH1A1MAPTTSHRCES2
SCHEMBL28719426 0.77 ALDH1A1 (0.52) LMNAALDH1A1TDP1NPC1RAB9A

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-5677155-A Process for preparing the sex pheromone of Lymantria dispar L NITTO DENKO CO., LTD. (JP) 1997-10-14 US disclosed