Isopropyl Myristate

Isopropyl Myristate

SCHEMBL9746018

CCCCCCCCCCCCCC(=O)OC(C)C.Nc1nc2c(ncn2COCCO)c(=O)[nH]1

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 7/20 0.67
HBB P68871 2/20 0.67
BLM P54132 2/20 0.67
USP2 O75604 1/20 0.67
TSHR P16473 1/20 0.67
EDNRA P25101 1/20 0.67
HTR2A P28223 1/20 0.67
RECQL P46063 1/20 0.67
HSD17B10 Q99714 1/20 0.67
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
MAPK1 P28482 1/20 0.57
HPRT1 P00492 7/20 0.55
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
CYP3A4 P08684 1/20 0.52
NFKB1 P19838 1/20 0.52
VCP P55072 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HIF1A Q16665 1/20 0.52

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
Palmitic Acid SCHEMBL18529399 0.88 PNP (0.73) PNPHBBBLMUSP2TSHR
Acyclovir SCHEMBL18529423 0.88 PNP (0.73) PNPHBBBLMUSP2TSHR
Acyclovir SCHEMBL689108 0.87 PNP (0.74) PNPHBBBLMUSP2TSHR
SCHEMBL12671989 0.86 MEN1 (0.66) PNPHBBBLMUSP2TSHR
Pentadecylamine SCHEMBL16060176 0.85 PNP (0.78) PNPHBBBLMUSP2TSHR
Hexadecylamine SCHEMBL14742878 0.85 PNP (0.78) PNPHBBBLMUSP2TSHR
Acyclovir SCHEMBL2817609 0.84 PNP (0.76) PNPHBBBLMUSP2TSHR
SCHEMBL10558127 0.84 MEN1 (0.54) PNPHBBBLMUSP2TSHR
SCHEMBL10481460 0.84 MEN1 (0.54) PNPHBBBLMUSP2TSHR
Elaidic Acid SCHEMBL1230565 0.83 PNP (0.66) PNPHBBBLMUSP2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE34089-E Solid plastisol layer of polyvinyl chloride, a plasticizer and a drug which is applied to tissues wherein drug is absorbed into the vascular system; controlled release of drugs HERCON LABORATORIES CORPORATION (US) 1992-10-06 US disclosed
US-4758434-A Article useful for administration of pharmacologically-active substances transdermally, orally, or by means of implant HERCON LABORATORIES CORPORATION (US) 1988-07-19 US disclosed