SCHEMBL9953200

SCHEMBL9953200

CCC(C)c1ccc2ccccc2c1C(C)CC.[Na]

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
ALDH1A1 P00352 3/20 0.38
CYP2A6 P11509 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
HSD17B10 Q99714 1/20 0.38
HPRT1 P00492 1/20 0.35
NCEH1 Q6PIU2 1/20 0.35
KDM4E B2RXH2 4/20 0.35
GAA P10253 3/20 0.35
CYP1A2 P05177 1/20 0.34
HTR2A P28223 2/20 0.34
HTR2C P28335 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
HTT P42858 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL6546616 0.98 TSHR (0.46) TSHRALDH1A1CYP2A6TDP1HSD17B10
Hydrogen Sulfide SCHEMBL28183437 0.96 TSHR (0.44) TSHRALDH1A1CYP2A6TDP1HSD17B10
SCHEMBL9953195 0.96 TSHR (0.44) TSHRALDH1A1CYP2A6TDP1HSD17B10
SCHEMBL5598805 0.86 TSHR (0.42) TSHRTDP1KDM4EGAACYP1A2
SCHEMBL6657612 0.81 TSHR (0.41) TSHRALDH1A1CYP2A6TDP1HSD17B10
SCHEMBL6546925 0.80 TSHR (0.48) TSHRALDH1A1CYP2A6TDP1HSD17B10
SCHEMBL10634101 0.80 TSHR (0.48) TSHRALDH1A1CYP2A6TDP1HSD17B10
SCHEMBL2116452 0.79 TSHR (0.44) TSHRALDH1A1CYP2A6TDP1HSD17B10
SCHEMBL8172019 0.79 TSHR (0.44) TSHRALDH1A1CYP2A6TDP1HSD17B10
SCHEMBL21686486 0.79 KMT2A (0.50) TSHRALDH1A1TDP1HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655522-B1 INKS&PRINTING PROCESS FUJIFILM IMAGING COLORANTS INC (US) 2018-08-08 EP disclosed
US-9127178-B2 Inks and printing process FUJIFILM IMAGING COLORANTS, INC. (US) 2015-09-08 US disclosed
US-20130286119-A1 Inks and Printing Process FUJIFILM IMAGING COLORANTS, INC. (US) 2013-10-31 US disclosed
EP-2655522-A2 INKS&PRINTING PROCESS Fujifilm Imaging Colorants, Inc. (US) 2013-10-30 EP disclosed
WO-2012085541-A2 INKS & PRINTING PROCESS FUJIFILM IMAGING COLORANTS LIMITED (GB) 2012-06-28 WO disclosed