SCHEMBL9513869

SCHEMBL9513869

CCN(CCCl)c1ccc(C)c(C=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
MAPT P10636 7/20 0.43
ALDH1A3 P47895 2/20 0.42
ALDH3A1 P30838 1/20 0.42
HPGD P15428 3/20 0.42
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
IGLV6-57 P01721 2/20 0.41
RAB9A P51151 1/20 0.40
S100B P04271 1/20 0.39
GLA P06280 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
ATM Q13315 1/20 0.38
HIF1A Q16665 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
SCHEMBL9513863 0.88 ALDH1A1 (0.50) ALDH1A1L3MBTL1MAPTALDH1A3ALDH3A1
SCHEMBL2845185 0.87 ALDH1A1 (0.58) ALDH1A1L3MBTL1MAPTALDH1A3ALDH3A1
SCHEMBL10333910 0.80 ALDH1A1 (0.49) ALDH1A1L3MBTL1MAPTHPGDKDM4E
SCHEMBL7249091 0.77 ALDH1A1 (0.71) ALDH1A1L3MBTL1MAPTALDH1A3ALDH3A1
SCHEMBL2845181 0.74 ALDH1A1 (0.63) ALDH1A1L3MBTL1MAPTALDH1A3ALDH3A1
SCHEMBL28379902 0.73 ALDH1A1 (0.67) ALDH1A1L3MBTL1MAPTALDH1A3ALDH3A1
SCHEMBL2945669 0.73 ALDH1A1 (0.50) ALDH1A1L3MBTL1MAPTALDH1A3ALDH3A1
SCHEMBL8017515 0.73 ALDH1A1 (0.50) ALDH1A1L3MBTL1MAPTALDH1A3ALDH3A1
SCHEMBL11183654 0.73 ALDH1A1 (0.50) ALDH1A1L3MBTL1MAPTALDH1A3ALDH3A1
SCHEMBL18300959 0.72 S1PR1 (0.67) ALDH1A1L3MBTL1MAPTHPGDKDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0412101-B1 NOVEL METHINE COMPOUNDS, POLYMERS CONTAINING THEM AND FORMED ARTICLES THEREFROM EASTMAN KODAK CO (US) 1993-10-27 EP disclosed
US-5086161-A Ultraviolet radiation screening food packaging EASTMAN KODAK COMPANY (US) 1992-02-04 US disclosed
US-5075491-A Ultraviolet radiation absorbers EASTMAN KODAK COMPANY (US) 1991-12-24 US disclosed
EP-0412101-A1 NOVEL METHINE COMPOUNDS, POLYMERS CONTAINING THEM AND FORMED ARTICLES THEREFROM. EASTMAN KODAK CO (US) 1991-02-13 EP disclosed
US-4958043-A Novel methine compounds, polymers containing them and formed articles therefrom EASTMAN KODAK COMPANY (US) 1990-09-18 US disclosed