SCHEMBL12995993

SCHEMBL12995993

CC(c1ccccc1O)N(C)C(C)c1ccccc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.60
GABRB2 P47870 2/20 0.60
TSHR P16473 2/20 0.59
POLB P06746 2/20 0.47
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
P4HB P07237 1/20 0.41
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
CYP2C9 P11712 1/20 0.40
KMT2A Q03164 1/20 0.40
CA2 P00918 2/20 0.39
LMNA P02545 2/20 0.39
CYP3A4 P08684 2/20 0.39
HPGD P15428 2/20 0.39
BLM P54132 2/20 0.39
HIF1A Q16665 2/20 0.39
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
FAAH O00519 1/20 0.39

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
SCHEMBL36796 0.86 GABRA1 (0.60) GABRA1GABRB2TSHRPOLBCRHBP
SCHEMBL650919 0.81 TSHR (0.59) GABRA1GABRB2TSHRPOLBMAPT
SCHEMBL19661042 0.80 GABRA1 (0.58) GABRA1GABRB2TSHRPOLBCRHBP
SCHEMBL19524276 0.79 GABRA1 (0.57) GABRA1GABRB2TSHRPOLBCRHBP
SCHEMBL8411378 0.77 TSHR (0.64) GABRA1GABRB2TSHRPOLBMEN1
SCHEMBL10666123 0.76 GABRA1 (0.65) GABRA1GABRB2TSHRPOLBMAPT
SCHEMBL15485453 0.75 GABRA1 (1.00) GABRA1GABRB2TSHRPOLBMAPT
SCHEMBL29531559 0.75 GABRA1 (1.00) GABRA1GABRB2TSHRPOLBMAPT
SCHEMBL51565 0.75 GABRA1 (0.71) GABRA1GABRB2TSHRPOLBMAPT
SCHEMBL11597764 0.75 GABRA1 (0.71) GABRA1GABRB2TSHRPOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9394499-B2 Methods relating to fuel compositions INNOSPEC LIMITED (GB) 2016-07-19 US disclosed
US-9315752-B2 Fuel compositions INNOSPEC LIMITED (GB) 2016-04-19 US disclosed
US-9243199-B2 Fuel compositions INNOSPEC LIMITED (GB) 2016-01-26 US disclosed
US-9163190-B2 Fuel compositions INNOSPEC LIMITED (GB) 2015-10-20 US disclosed
US-9157041-B2 Fuel compositions INNOSPEC LIMITED (GB) 2015-10-13 US disclosed
US-20150225662-A1 METHODS RELATING TO FUEL COMPOSITIONS INNOSPEC LIMITED (GB) 2015-08-13 US disclosed
US-9085740-B2 Methods relating to fuel compositions INNOSPEC LIMITED (GB) 2015-07-21 US disclosed
US-20140190072-A1 FUEL COMPOSITIONS REID JACQUELINE (GB) 2014-07-10 US disclosed
US-20130186360-A1 FUEL COMPOSITIONS INNOSPEC LIMITED (GB) 2013-07-25 US disclosed
US-20100299992-A1 FUEL COMPOSITIONS INNOSPEC LIMITED (GB) 2010-12-02 US disclosed
US-20100281760-A1 Fuel Compositions INNOSPEC LIMITED (GB) 2010-11-11 US disclosed
US-20100263261-A1 FUEL COMPOSITIONS INNOSPEC LIMITED (GB) 2010-10-21 US disclosed
US-20100258070-A1 FUEL COMPOSITIONS INNOSPEC LIMITED (GB) 2010-10-14 US disclosed