SCHEMBL9761016

SCHEMBL9761016

CCCCOC(=O)N1CCCCC1CCOC

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FKBP1A P62942 5/20 0.40
GBA2 Q9HCG7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
S1PR5 Q9H228 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
SCHEMBL6119301 0.88 MAPT (0.43) MAPTLMNAPOLBSMN1; SMN2FKBP1A
SCHEMBL6336988 0.86 MAPT (0.43) MAPTLMNAPOLBSMN1; SMN2FKBP1A
SCHEMBL31648060 0.86 MAPT (0.43) MAPTLMNAPOLBSMN1; SMN2FKBP1A
SCHEMBL2913340 0.85 POLB (0.47) MAPTALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL14144107 0.84 POLB (0.45) MAPTALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL18987370 0.84 LMNA (0.39) MAPTLMNAPOLBSMN1; SMN2FKBP1A
SCHEMBL3036913 0.83 LMNA (0.42) MAPTLMNAPOLBSMN1; SMN2GBA2
SCHEMBL6207733 0.83 POLB (0.53) MAPTALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL1982237 0.83 POLB (0.53) MAPTALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL5250880 0.83 POLB (0.44) MAPTALDH1A1LMNAPOLBSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0289842-B1 REMEDY AGAINST INSECTS AND MITES BAYER AG (DE) 1991-11-27 EP disclosed
US-5008261-A Long-lasting BAYER AKTIENGESELLSCHAFT (DE) 1991-04-16 US disclosed
US-4900834-A INSECT AND MITE REPELLENTS BAYER AKTIENGESELLSCHAFT (DE) 1990-02-13 US disclosed
EP-0289842-A1 Remedy against insects and mites BAYER AG (DE) 1988-11-09 EP disclosed