SCHEMBL7995434

SCHEMBL7995434

CCN(CC)c1ccc(C=O)cc1F

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 4/20 0.65
ALDH3A1 P30838 5/20 0.58
ALDH1A1 P00352 11/20 0.53
L3MBTL1 Q9Y468 2/20 0.41
PTGER4 P35408 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CYP2A6 P11509 2/20 0.38
CYP2A13 Q16696 1/20 0.38
MEN1 O00255 2/20 0.37
HPGD P15428 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KIF11 P52732 1/20 0.37
HTT P42858 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL29953881 0.84 ALDH1A3 (0.48) ALDH1A3ALDH3A1ALDH1A1PTGER4SMN1; SMN2
SCHEMBL12227994 0.83 ALDH1A1 (0.55) ALDH1A3ALDH3A1ALDH1A1PTGER4SMN1; SMN2
SCHEMBL29954285 0.83 ALDH1A3 (0.47) ALDH1A3ALDH3A1ALDH1A1PTGER4SMN1; SMN2
SCHEMBL29953958 0.81 ALDH1A3 (0.45) ALDH1A3ALDH3A1ALDH1A1SMN1; SMN2MEN1
SCHEMBL9362085 0.80 ALDH1A3 (0.67) ALDH1A3ALDH3A1ALDH1A1L3MBTL1CYP2A6
SCHEMBL3186339 0.79 CYP2A6 (0.47) ALDH1A3ALDH3A1ALDH1A1PTGER4SMN1; SMN2
SCHEMBL19036688 0.79 ALDH1A3 (0.41) ALDH1A3ALDH3A1ALDH1A1MEN1KMT2A
SCHEMBL11521133 0.79 ALDH1A3 (1.00) ALDH1A3ALDH3A1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL9362042 0.79 ALDH1A3 (0.76) ALDH1A3ALDH3A1ALDH1A1L3MBTL1PTGER4
SCHEMBL31299763 0.79 ALDH1A3 (0.65) ALDH1A3ALDH3A1ALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6280884-B1 HOLOGRAPHIC STORAGE IN PHOTOREFRACTIVE POLYMERIC OPTICAL ARTICLE, EXPOSURE TO ELECTROMAGNETIC RADIATION WITH INTERSECTING BEAMS INTERNATIONAL BUSINESS MACHINES CORPORATION 2001-08-28 US disclosed
US-5361148-A Apparatus for photorefractive two beam coupling INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1994-11-01 US disclosed