SCHEMBL6764929

SCHEMBL6764929

CCC(C)(N)C(O)c1ccc(CCCCOc2ccc(OC)cc2)s1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 7/20 0.39
S1PR3 Q99500 6/20 0.39
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
S1PR4 O95977 4/20 0.34
S1PR5 Q9H228 3/20 0.34
FAAH O00519 1/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PPARA Q07869 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
KCNH2 Q12809 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL6304690 0.74 ALDH1A1 (0.36) S1PR1S1PR3ALDH1A1MEN1KMT2A
SCHEMBL385680 0.73 S1PR1 (0.41) S1PR1S1PR3ALDH1A1MEN1KMT2A
SCHEMBL6304687 0.72 ALDH1A1 (0.39) S1PR1S1PR3ALDH1A1MEN1KMT2A
SCHEMBL384004 0.70 S1PR1 (0.62) S1PR1S1PR3S1PR4S1PR5
SCHEMBL383669 0.68 S1PR1 (0.61) S1PR1S1PR3ALDH1A1S1PR4S1PR5
SCHEMBL9808262 0.65 MAPT (0.62) ALDH1A1LMNASMN1; SMN2KCNH2MAPT
SCHEMBL14984020 0.63 MAPT (0.60) ALDH1A1SMN1; SMN2KCNH2MAPTTDP1
SCHEMBL30514009 0.63 MAPT (0.60) ALDH1A1SMN1; SMN2KCNH2MAPTTDP1
SCHEMBL6269511 0.63 S1PR1 (0.54) S1PR1S1PR3S1PR4S1PR5TDP1
SCHEMBL6305559 0.62 KCNA3 (0.42) S1PR1S1PR3ALDH1A1S1PR4S1PR5

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-6723745-B2 PREVENTION OR TREATMENT OF AUTOIMMUNE DISEASE IN WARM BLOODED ANIMAL SANKYO COMPANY, LIMITED (JP) 2004-04-20 US disclosed