SCHEMBL1855413

SCHEMBL1855413

CCCCc1cc(N(CC)CC)ccc1C=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 14/20 0.55
▸ L3MBTL1 Q9Y468 4/20 0.55
▸ ALDH1A3 P47895 2/20 0.47
▸ ALDH3A1 P30838 1/20 0.47
▸ MAPT P10636 10/20 0.46
▸ KDM4E B2RXH2 7/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ HPGD P15428 4/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ TERT O14746 1/20 0.41
▸ LMNA P02545 3/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ CRHBP P24387 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ GAA P10253 4/20 0.37
▸ HTT P42858 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ S100B P04271 1/20 0.37
▸ MAPK1 P28482 3/20 0.36

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
SCHEMBL15800618 0.85 ALDH1A1 (0.63) ALDH1A1L3MBTL1ALDH1A3ALDH3A1MAPT
SCHEMBL20876039 0.84 ALDH1A1 (0.55) ALDH1A1L3MBTL1ALDH1A3ALDH3A1MAPT
SCHEMBL2342820 0.80 PSMB5 (0.40) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL28385360 0.78 ALDH1A1 (0.55) ALDH1A1L3MBTL1ALDH1A3ALDH3A1MAPT
SCHEMBL28379902 0.78 ALDH1A1 (0.67) ALDH1A1L3MBTL1ALDH1A3ALDH3A1MAPT
SCHEMBL6357414 0.77 ALDH1A1 (0.54) ALDH1A1L3MBTL1ALDH1A3ALDH3A1MAPT
SCHEMBL31056287 0.77 SRC (0.47) ALDH1A1MAPTKDM4ENPSR1GAA
SCHEMBL8649664 0.77 CDK1 (0.46) ALDH1A1HPGDNPSR1LMNAHTT
SCHEMBL9471487 0.77 TLR8 (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2HIF1A
SCHEMBL11759112 0.77 ALDH1A3 (0.40) ALDH1A1ALDH1A3ALDH3A1KDM4ETDP1

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-1680395-B1 NOVEL LIGAND ACTIVATING RAR RECEPTORS USED IN HUMAN MEDICINE AND COSMETICS GALDERMA RES & DEV (FR) 2011-05-25 — — EP disclosed
Send feedback