SCHEMBL2440937

SCHEMBL2440937

CCCCCCCCCCC(CC(CC)CCCC)C(=O)OCC(CC)CCCC

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.55
TSHR P16473 3/20 0.55
TDP1 Q9NUW8 2/20 0.55
ATM Q13315 1/20 0.55
PRSS1 P07477 1/20 0.54
PRSS2 P07478 1/20 0.54
PRSS3 P35030 1/20 0.54
RECQL P46063 1/20 0.50
CA2 P00918 5/20 0.49
ALDH1A1 P00352 4/20 0.49
LMNA P02545 3/20 0.45
CA1 P00915 1/20 0.45
MAPK1 P28482 3/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ZDHHC7 Q9NXF8 1/20 0.42
GRIK1 P39086 1/20 0.41
GRIK2 Q13002 1/20 0.41

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
SCHEMBL6239514 0.92 CYP3A4 (0.60) CYP3A4TSHRTDP1ATMPRSS1
SCHEMBL29195736 0.92 CYP3A4 (0.60) CYP3A4TSHRTDP1ATMPRSS1
SCHEMBL2902800 0.92 CYP3A4 (0.60) CYP3A4TSHRTDP1ATMPRSS1
SCHEMBL7223059 0.90 CYP3A4 (0.58) CYP3A4TSHRTDP1ATMPRSS1
SCHEMBL28900906 0.90 CYP3A4 (0.58) CYP3A4TSHRTDP1ATMPRSS1
SCHEMBL7204185 0.90 CA2 (0.47) CYP3A4TSHRTDP1ATMPRSS1
SCHEMBL5708605 0.90 TSHR (0.52) CYP3A4TSHRTDP1ATMPRSS1
SCHEMBL493869 0.90 TSHR (0.56) CYP3A4TSHRTDP1ATMPRSS1
SCHEMBL494657 0.90 TSHR (0.56) CYP3A4TSHRTDP1ATMPRSS1
SCHEMBL495137 0.90 TSHR (0.56) CYP3A4TSHRTDP1ATMPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1600482-B1 Liquid composition for metachromatic members, and its use PILOT INK CO LTD (JP) 2018-04-04 EP disclosed
US-8025961-B2 Liquid composition for metachromatic members, and metachromatic member set making use of the same THE PILOT INK CO., LTD. (JP) 2011-09-27 US disclosed
US-7632564-B2 Liquid composition for metachromatic members, and metachromatic member set making use of the same THE PILOT INK CO., LTD. (JP) 2009-12-15 US disclosed
US-20090071370-A1 LIQUID COMPOSITION FOR METACHROMATIC MEMBERS, AND METACHROMATIC MEMBER SET MAKING USE OF THE SAME THE PILOT INK CO., LTD. (JP) 2009-03-19 US disclosed
EP-1600482-A1 Liquid composition for metachromatic members, and its use THE PILOT INK CO., LTD. (JP) 2005-11-30 EP disclosed
US-20050260362-A1 Liquid composition for metachromatic members, and metachromatic member set making use of the same THE PILOT INK CO., LTD. (JP) 2005-11-24 US disclosed