SCHEMBL2721058

SCHEMBL2721058

C=CC(=O)OCCCCSCC

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 10/20 0.62
ALDH1A1 P00352 4/20 0.62
CYP3A4 P08684 2/20 0.62
HPGD P15428 1/20 0.61
TP53 P04637 3/20 0.47
HIF1A Q16665 3/20 0.47
HSD17B10 Q99714 1/20 0.47
THRB P10828 2/20 0.44
ATM Q13315 1/20 0.41
HCAR2 Q8TDS4 3/20 0.40
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NAAA Q02083 1/20 0.32

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
SCHEMBL4887765 0.95 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL28541902 0.89 TSHR (0.72) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL21246644 0.87 TSHR (0.76) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL4888473 0.87 TSHR (0.57) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL11423509 0.84 ATM (0.57) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL21385195 0.84 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL17416309 0.83 TSHR (0.68) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL22861291 0.83 TSHR (0.68) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL14509182 0.82 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL10033083 0.82 TSHR (0.72) TSHRALDH1A1CYP3A4HPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124194-B2 Ink composition comprising a compound with a sulfide bond and an ink jet recording method FUJIFILM CORPORATION (JP) 2012-02-28 US disclosed
US-8124194-B2 Ink composition comprising a compound with a sulfide bond and an ink jet recording method FUJIFILM CORPORATION (JP) 2012-02-28 US disclosed
EP-2065448-B1 Ink composition and ink jet recording method FUJIFILM CORP (JP) 2012-01-04 EP disclosed
EP-2065448-A1 Ink composition and ink jet recording method FUJIFILM Corporation (JP) 2009-06-03 EP disclosed
US-20090136678-A1 Ink composition and ink jet recording method FUJIFILM CORPORATION (JP) 2009-05-28 US disclosed
US-20090136678-A1 Ink composition and ink jet recording method FUJIFILM CORPORATION (JP) 2009-05-28 US disclosed
US-5420004-A Direct positive silver halide emulsion and color diffusion transfer light-sensitive material therewith FUJI PHOTO FILM CO., LTD. (JP) 1995-05-30 US disclosed