SCHEMBL9746244

SCHEMBL9746244

CN(CCOCCOCCO)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
APP P05067 2/20 0.42
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
RECQL P46063 1/20 0.38
USP2 O75604 1/20 0.38
SLC6A4 P31645 2/20 0.37

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
SCHEMBL2671430 0.84 USP2 (0.42) ADRB2ADRB1ALDH1A1MEN1KMT2A
SCHEMBL6287830 0.83 APP (0.46) APPALDH1A1MEN1KMT2AKDM4E
SCHEMBL18216986 0.81 MEN1 (0.42) ADRB2ADRB1APPALDH1A1MEN1
SCHEMBL12970039 0.81 MEN1 (0.42) ADRB2ADRB1APPALDH1A1MEN1
SCHEMBL11687676 0.81 TSHR (0.49) ADRB2ADRB1ALDH1A1KDM4E
SCHEMBL9746252 0.80 ADRB2 (0.36) ADRB2ADRB1ALDH1A1MEN1KMT2A
SCHEMBL11807152 0.79 ALDH1A1 (0.42) ADRB2ADRB1APPALDH1A1MEN1
SCHEMBL1637985 0.79 ALOX15 (0.43) ADRB2ADRB1ALDH1A1USP2
SCHEMBL20904090 0.79 TSHR (0.44) ADRB2ADRB1APPALDH1A1MEN1
SCHEMBL13688329 0.79 TSHR (0.44) ADRB2ADRB1APPALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0313474-B1 AN OPTICAL ARTICLE EXHIBITING A HIGH LEVEL OF SECOND ORDER POLARIZATION SUSCEPTIBILITY EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1992-12-23 EP disclosed
EP-0313474-A2 An optical article exhibiting a high level of second order polarization susceptibility EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1989-04-26 EP disclosed
US-4792208-A POLAR ALIGNED NONCENTROSYMMETRIC MOLECULAR DIPOLES; SULFONYL MOIETY AS ELECTRON ACCEPTOR EASTMAN KODAK COMPANY (US) 1988-12-20 US disclosed