SCHEMBL7225285

SCHEMBL7225285

CCCCC(CC)COC(=O)C(CC)CC

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.66
TSHR P16473 3/20 0.66
TDP1 Q9NUW8 2/20 0.66
ATM Q13315 1/20 0.66
RECQL P46063 1/20 0.58
CA2 P00918 7/20 0.57
ALDH1A1 P00352 4/20 0.57
CA1 P00915 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
LMNA P02545 2/20 0.51
MAPK1 P28482 2/20 0.50
HSD17B10 Q99714 1/20 0.50
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50

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
SCHEMBL55328 0.94 CYP3A4 (0.64) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL4846583 0.94 CYP3A4 (0.64) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL7218240 0.93 CYP3A4 (0.62) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL7224706 0.91 CYP3A4 (0.64) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL7223059 0.90 CYP3A4 (0.58) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL28900906 0.90 CYP3A4 (0.58) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL3750319 0.89 CA2 (0.63) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL4846585 0.88 CYP3A4 (0.57) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL14668503 0.88 RECQL (0.67) CYP3A4TSHRTDP1ATMRECQL
SCHEMBL27436917 0.88 CYP3A4 (0.66) CYP3A4TSHRTDP1ATMRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4455402-A (Meth)acrylate film-forming polymers prepared with an in process coalescent ROHM AND HAAS COMPANY (US) 1984-06-19 US claimed
EP-0026982-A1 Coating compositions containing mono- or diester coalescing agents and a substrate coated therewith ROHM AND HAAS COMPANY (US) 1981-04-15 EP claimed
US-6667285-B1 Branched-chain carboxylic acid monoalkyl ester with outstanding hydrolytic stability NEW JAPAN CHEMICAL CO., LTD. (JP) 2003-12-23 US disclosed
EP-1225213-A1 LUBRICATING OIL FOR REFRIGERATOR, HYDRAULIC FLUID COMPOSITION FOR REFRIGERATOR AND METHOD FOR LUBRICATION OF REFRIGERATOR NEW JAPAN CHEMICAL CO.,LTD. (JP) 2002-07-24 EP disclosed
US-4455402-A (Meth)acrylate film-forming polymers prepared with an in process coalescent ROHM AND HAAS COMPANY (US) 1984-06-19 US disclosed