SCHEMBL20053890

SCHEMBL20053890

CCCCCCOC1CC=C(C#N)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.47
GBA1 P04062 3/20 0.36
ALDH1A1 P00352 4/20 0.34
TDP1 Q9NUW8 1/20 0.34
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
HPGD P15428 3/20 0.32
KDM4E B2RXH2 2/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
S1PR1 P21453 2/20 0.31
SGPL1 O95470 2/20 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
SCHEMBL7908107 0.70 CRBN (0.32) ALDH1A1
SCHEMBL14300062 0.70
SCHEMBL9494383 0.70 HDAC3 (0.34) DRD3GBA1DRD2L3MBTL1
SCHEMBL9403724 0.69 HRH3 (0.40)
SCHEMBL21047655 0.68 GBA1 (0.40) GBA1ALDH1A1TDP1HPGDS1PR1
SCHEMBL8743942 0.68 GBA1 (0.40) GBA1ALDH1A1TDP1HPGDS1PR1
SCHEMBL21047634 0.68 GBA1 (0.40) GBA1ALDH1A1TDP1HPGDS1PR1
SCHEMBL21047710 0.68 GBA1 (0.40) GBA1ALDH1A1TDP1HPGDS1PR1
SCHEMBL21047817 0.68 GBA1 (0.40) GBA1ALDH1A1TDP1HPGDS1PR1
SCHEMBL11451186 0.68 GBA1 (0.50) GBA1ALDH1A1TDP1HPGDHTT

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-3309145-A1 MARINE PERIPHYTON REPELLENT COMPOSITION Basseru Chemical Co., Ltd. (JP) 2018-04-18 EP disclosed