SCHEMBL10539640

SCHEMBL10539640

CCCCn1ccc(CC)c1CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
TLR8 Q9NR97 3/20 0.38
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 4/20 0.36
HTT P42858 3/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TYR P14679 1/20 0.35
HRH4 Q9H3N8 1/20 0.34
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
DRD3 P35462 1/20 0.33
GRM2 Q14416 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL10536184 0.88 GRM2 (0.33) TYRGRM2CNR2
SCHEMBL3266092 0.79 KDM4E (0.32) ALDH1A1KDM4E
SCHEMBL10538607 0.78 ALDH1A1 (0.39) ALDH1A1POLBKMT2ATLR8NPSR1
SCHEMBL10536006 0.74 CYP1A2 (0.37) ALDH1A1POLBKMT2ATLR8NPSR1
SCHEMBL1925550 0.73 TLR8 (0.40) ALDH1A1POLBKMT2ATLR8NPSR1
SCHEMBL10536070 0.73 CNR1 (0.36) ALDH1A1POLBKMT2ATLR8NPSR1
Bromide SCHEMBL29212810 0.72 NPC1 (0.43) ALDH1A1POLBKMT2ATLR8NPSR1
SCHEMBL14625802 0.72 CRBN (0.33) KDM4EPGR
SCHEMBL30982990 0.71 KDM4E (0.42) TLR8LMNAHTTTYRKDM4E
SCHEMBL30982374 0.71 KDM4E (0.42) TLR8LMNAHTTTYRKDM4E

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-4826869-A GLAUCOMA SYNTEX (U.S.A.) INC. (US) 1989-05-02 US disclosed