SCHEMBL11788366

SCHEMBL11788366

CCC(O)n1c2ccccc2c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.48
TSHR P16473 1/20 0.45
NPY1R P25929 1/20 0.45
NPY2R P49146 1/20 0.45
DNM1 Q05193 2/20 0.43
GPR3 P46089 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
POLB P06746 2/20 0.41
IDO1 P14902 1/20 0.40
TSPO P30536 1/20 0.40
AGER Q15109 2/20 0.39
LMNA P02545 1/20 0.39
PER2 O15055 2/20 0.39
CRY1 Q16526 2/20 0.39
CRY2 Q49AN0 2/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 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
SCHEMBL28246015 0.80 CNR2 (0.45) BACE1TSHRNPY1RNPY2RDNM1
SCHEMBL573153 0.78 CYP1A2 (0.50) BACE1TSHRNPY1RNPY2RDNM1
SCHEMBL12091659 0.78 GPR3 (0.46) BACE1TSHRNPY1RNPY2RDNM1
Benzene SCHEMBL28246014 0.78 CNR2 (0.44) BACE1TSHRNPY1RNPY2RKDM4E
Benzene SCHEMBL28246744 0.77 CSNK1E (0.44) KDM4EMAPT
Benzene SCHEMBL28246729 0.77 CSNK1E (0.44) KDM4EMAPT
SCHEMBL18404644 0.77 GPR3 (0.44) BACE1TSHRNPY1RNPY2RDNM1
SCHEMBL14164189 0.77 GPR3 (0.44) BACE1TSHRNPY1RNPY2RDNM1
SCHEMBL127116 0.77 GPR3 (0.44) BACE1TSHRNPY1RNPY2RDNM1
SCHEMBL11156765 0.76 CDC7 (0.38) BACE1TSHRNPY1RNPY2RDNM1

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-7736548-B2 Non-linear optical device with long grating persistency NITTO DENKO CORPORATION (JP) 2010-06-15 US disclosed
US-20080039603-A1 NON-LINEAR OPTICAL DEVICE WITH LONG GRATING PERSISTENCY NITTO DENKO CORPORATION (JP) 2008-02-14 US disclosed
WO-2008013774-A2 NON-LINEAR OPTICAL DEVICE WITH LONG GRATING PERSISTENCY NITTO DENKO CORPORATION (JP) 2008-01-31 WO disclosed
US-3987011-A METHOD FOR PREPARING POLY-N-ALKENYLAMINES SIROTKINA EKATERINA EGOROVNA 1976-10-19 US disclosed