SCHEMBL10021997

SCHEMBL10021997

CN(C)c1ccc(/C=C2\CCCC2=O)cc1

nearest known ligand 0.93

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.93
NPC1 O15118 3/20 0.93
RAB9A P51151 3/20 0.93
SMN1; SMN2 Q16637 2/20 0.93
HPGD P15428 1/20 0.93
CYP1A2 P05177 3/20 0.78
KMT2A Q03164 4/20 0.69
ALDH1A1 P00352 3/20 0.69
MEN1 O00255 3/20 0.69
LMNA P02545 2/20 0.69
AKR1C3 P42330 1/20 0.62
AKR1C1 Q04828 1/20 0.62
HTT P42858 1/20 0.61
EGFR P00533 1/20 0.59
MAPK1 P28482 1/20 0.55
MCOLN3 Q8TDD5 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
NSD2 O96028 1/20 0.54
MAOB P27338 2/20 0.50
MAOA P21397 1/20 0.50

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
SCHEMBL10621315 1.00 MAPT (0.93) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL3738691 1.00 MAPT (0.93) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4576499 0.97 MAPT (1.00) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL3742453 0.97 MAPT (1.00) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL19474922 0.88 CYP1A2 (1.00) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL815091 0.88 CYP1A2 (1.00) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL815092 0.88 CYP1A2 (1.00) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL28009938 0.87 MAPT (0.72) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL28009927 0.87 MAPT (0.72) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL28010604 0.85 MAPT (0.68) MAPTNPC1RAB9ASMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119041-B2 A polymerizable monomer or polymerizable oligomer and at least a two-photon absorption material containing aliphatic ketone compounds with atleast 2-8 double bonds and two aromatic or heteroaromatic rings FUJIFILM CORPORATION (JP) 2012-02-21 US disclosed
US-8119041-B2 A polymerizable monomer or polymerizable oligomer and at least a two-photon absorption material containing aliphatic ketone compounds with atleast 2-8 double bonds and two aromatic or heteroaromatic rings FUJIFILM CORPORATION (JP) 2012-02-21 US disclosed
US-20080199811-A1 PHOTOSENSITIVE COMPOSITION AND TWO-PHOTON ABSORPTION PHOTORECORDING MEDIUM FUJIFILM CORPORATION (JP) 2008-08-21 US disclosed
US-20080199811-A1 PHOTOSENSITIVE COMPOSITION AND TWO-PHOTON ABSORPTION PHOTORECORDING MEDIUM FUJIFILM CORPORATION (JP) 2008-08-21 US disclosed