SCHEMBL9746252

SCHEMBL9746252

CC(O)OCCOCCN(C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
SLC6A4 P31645 4/20 0.36
LMNA P02545 2/20 0.36
CHRM2 P08172 2/20 0.36
ADRA2A P08913 2/20 0.36
CHRM1 P11229 2/20 0.36
SLC6A2 P23975 2/20 0.36
OPRM1 P35372 2/20 0.36
DRD3 P35462 2/20 0.36
SLC6A3 Q01959 2/20 0.36
CYP1A2 P05177 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
ADRA2B P18089 1/20 0.36
CHRM3 P20309 1/20 0.36
HRH2 P25021 1/20 0.36
HTR2A P28223 1/20 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
SCHEMBL9746244 0.80 ADRB2 (0.43) ADRB2ADRB1SLC6A4KDM4EALDH1A1
SCHEMBL2671430 0.78 USP2 (0.42) ADRB2ADRB1SLC6A4HTTALDH1A1
SCHEMBL2608919 0.77 LMNA (0.38) ADRB1SLC6A4LMNACHRM2ADRA2A
SCHEMBL11687676 0.76 TSHR (0.49) ADRB2ADRB1TSHRKDM4EALDH1A1
SCHEMBL1637985 0.74 ALOX15 (0.43) ADRB2ADRB1TSHRHTTALDH1A1
SCHEMBL10669524 0.74 CA12 (0.46) ADRB2ADRB1SLC6A4LMNACHRM2
SCHEMBL10771878 0.73 TDP1 (0.38)
SCHEMBL9705220 0.73 CHRM2 (0.50) SLC6A4LMNACHRM2ADRA2ACHRM1
SCHEMBL21647504 0.73 TSHR (0.48) ADRB2ADRB1LMNATSHRHTT
SCHEMBL1594904 0.73 TSHR (0.48) ADRB2ADRB1LMNATSHRHTT

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
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
US-4792208-A POLAR ALIGNED NONCENTROSYMMETRIC MOLECULAR DIPOLES; SULFONYL MOIETY AS ELECTRON ACCEPTOR EASTMAN KODAK COMPANY (US) 1988-12-20 US disclosed