SCHEMBL3939348

SCHEMBL3939348

C=C(CCOCCCCCCCCCC)OC(=C)CCOCCCCCCCCCC

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.52
MEN1 O00255 1/20 0.52
THRB P10828 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPT P10636 1/20 0.52
CES2 O00748 2/20 0.44
TSHR P16473 3/20 0.41
USP2 O75604 1/20 0.41
NAAA Q02083 1/20 0.41
CES1 P23141 1/20 0.40
SPHK1 Q9NYA1 2/20 0.38
SPHK2 Q9NRA0 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LPAR3 Q9UBY5 3/20 0.36
LPAR1 Q92633 2/20 0.36
LPAR2 Q9HBW0 2/20 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
SCHEMBL9162272 0.91 TSHR (0.50) HTTMEN1THRBKMT2AMAPT
SCHEMBL21174465 0.82 HSD17B10 (0.36) TSHRTDP1
SCHEMBL9398009 0.81 HTT (0.54) HTTMEN1THRBKMT2AMAPT
SCHEMBL1853053 0.80 CES2 (0.46) MEN1KMT2ACES2TSHRCES1
SCHEMBL8991757 0.80 CES2 (0.46) MEN1KMT2ACES2TSHRCES1
SCHEMBL1100156 0.80 CES2 (0.46) MEN1KMT2ACES2TSHRCES1
SCHEMBL323206 0.80 CES2 (0.46) MEN1KMT2ACES2TSHRCES1
SCHEMBL10375151 0.80 CES2 (0.46) MEN1KMT2ACES2TSHRCES1
SCHEMBL8991633 0.80 CES2 (0.46) MEN1KMT2ACES2TSHRCES1
SCHEMBL1856865 0.80 CES2 (0.46) MEN1KMT2ACES2TSHRCES1

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
US-7481524-B2 Ink for inkjet recording, method of inkjet recording, ink cartridge and inkjet recording apparatus CANON FINETECH INC. (JP) 2009-01-27 US disclosed
US-20070103525-A1 Ink for inkjet recording, method of inkjet recording, ink cartridge and injet recording apparatus CANON FINETECH NISCA INC. (JP) 2007-05-10 US disclosed
EP-1676893-A1 INK FOR INKJET RECORDING, METHOD OF INKJET RECORDING, INK CARTRIDGE AND INKJET RECORDING APPARATUS Canon Finetech Inc. (JP) 2006-07-05 EP disclosed