SCHEMBL10591237

SCHEMBL10591237

CC(C(=O)O)=C1CCCCC1CO

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
POLB P06746 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ACE P12821 3/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
GAA P10253 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
OPRK1 P41145 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL16230474 0.76 KDM4E (0.34) KDM4EPOLBL3MBTL1GAA
SCHEMBL13766051 0.66
SCHEMBL1117680 0.66
SCHEMBL15048937 0.66
SCHEMBL9813664 0.66 CAMK2A (0.37) KDM4EPOLBL3MBTL1PTGS1PTGS2
SCHEMBL5873450 0.65 CA1 (0.51) KDM4ENPC1RAB9AGAAALDH1A1
SCHEMBL6907617 0.65 CA1 (0.51) KDM4ENPC1RAB9AGAAALDH1A1
SCHEMBL6902606 0.65 CA1 (0.51) KDM4ENPC1RAB9AGAAALDH1A1
SCHEMBL9819378 0.64 SMN1; SMN2 (0.38) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL1367891 0.63

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
EP-0167266-B1 INSECT REPELLENT COMPOSITION AND METHOD OF REPELLING INSECTS ANGUS CHEMICAL COMPANY (US) 1989-08-02 EP disclosed