SCHEMBL17533290

SCHEMBL17533290

CCc1ccc(CN2[C@H](C)CCC[C@@H]2C)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
LTA4H P09960 1/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 2/20 0.41
HRH3 Q9Y5N1 4/20 0.41
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MGLL Q99685 1/20 0.40
CHEK1 O14757 1/20 0.39
ACHE P22303 1/20 0.39
KCNH2 Q12809 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
S1PR1 P21453 1/20 0.38
S1PR5 Q9H228 1/20 0.38

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
SCHEMBL13405849 0.85 ALDH1A1 (0.50) ALDH1A1LTA4HPOLBKDM4EACHE
SCHEMBL16215682 0.85 ALDH1A1 (0.52) ALDH1A1LTA4HPOLBHRH3ACHE
SCHEMBL24135043 0.84 POLB (0.44) ALDH1A1POLBKDM4EHRH3TSHR
SCHEMBL3146950 0.83 ALDH1A1 (0.63) ALDH1A1LTA4HPOLBKDM4EHRH3
SCHEMBL1427504 0.83 ALDH1A1 (0.42) ALDH1A1LTA4HPOLBKDM4EHRH3
SCHEMBL29147689 0.83 ALDH1A1 (0.42) ALDH1A1LTA4HPOLBKDM4EHRH3
SCHEMBL17055247 0.82 LTA4H (0.54) ALDH1A1LTA4HPOLBKDM4ETSHR
SCHEMBL18557 0.82 LTA4H (0.54) ALDH1A1LTA4HPOLBKDM4ETSHR
SCHEMBL6708193 0.80 ALDH1A1 (0.47) ALDH1A1LTA4HKDM4EHRH3CHEK1
SCHEMBL13646584 0.80 ALDH1A1 (0.47) ALDH1A1LTA4HKDM4EHRH3CHEK1

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
WO-2016029004-A1 METHODS OF TREATING MULTIPLE MYELOMA WITH IMMUNOMODULATORY COMPOUNDS IN COMBINATION WITH ANTIBODIES CELGENE CORPORATION (US) 2016-02-25 WO disclosed