SCHEMBL6239514

SCHEMBL6239514

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

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.60
TSHR P16473 3/20 0.60
TDP1 Q9NUW8 2/20 0.60
ATM Q13315 1/20 0.60
PRSS1 P07477 1/20 0.57
PRSS2 P07478 1/20 0.57
PRSS3 P35030 1/20 0.57
RECQL P46063 1/20 0.54
CA2 P00918 6/20 0.53
ALDH1A1 P00352 4/20 0.53
CA1 P00915 2/20 0.49
LMNA P02545 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
MAPK1 P28482 2/20 0.47
HSD17B10 Q99714 1/20 0.47
ZDHHC7 Q9NXF8 1/20 0.46

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
SCHEMBL2902800 1.00 CYP3A4 (0.60) CYP3A4TSHRTDP1ATMPRSS1
SCHEMBL29195736 1.00 CYP3A4 (0.60) CYP3A4TSHRTDP1ATMPRSS1
SCHEMBL28957088 0.97 CYP3A4 (0.57) CYP3A4TSHRTDP1ATMPRSS1
SCHEMBL7223059 0.95 CYP3A4 (0.58) CYP3A4TSHRTDP1ATMPRSS1
SCHEMBL28900906 0.95 CYP3A4 (0.58) CYP3A4TSHRTDP1ATMPRSS1
SCHEMBL22501891 0.95 CYP3A4 (0.58) CYP3A4TSHRTDP1ATMPRSS1
SCHEMBL3747389 0.93 CA2 (0.52) CYP3A4TSHRTDP1ATMPRSS1
SCHEMBL3757070 0.93 CA2 (0.52) CYP3A4TSHRTDP1ATMPRSS1
SCHEMBL3745037 0.93 CA2 (0.52) CYP3A4TSHRTDP1ATMPRSS1
SCHEMBL20512290 0.93 CA2 (0.52) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458819-B1 SOLID PIGMENT COMPOSITION FOR PIGMENT INK, PIGMENT INK CONTAINING THE SAME, AND PROCESS FOR PREPARING THESE ORIENT CHEMICAL IND (JP) 2005-06-22 EP disclosed
US-20050020728-A1 Solid pigment composition for pigment ink pigment ink containing the same and process for preparing these ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 2005-01-27 US disclosed
EP-1458819-A1 SOLID PIGMENT COMPOSITION FOR PIGMENT INK, PIGMENT INK CONTAINING THE SAME, AND PROCESS FOR PREPARING THESE Orient Chemical Industries, Ltd. (JP) 2004-09-22 EP disclosed
WO-2004011558-A1 SOLID PIGMENT COMPOSITION FOR PIGMENT INK, PIGMENT INK CONTAINING THE SAME, AND PROCESS FOR PREPARING THESE ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 2004-02-05 WO disclosed