Acetic Acid Pentyl Ester

Acetic Acid Pentyl Ester

SCHEMBL27748017

CC1=C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]32)CC1=O.CCCCCOC(C)=O

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.44
SHBG P04278 4/20 0.44
AR P10275 2/20 0.44
GPBAR1 Q8TDU6 2/20 0.44
NR3C1 P04150 1/20 0.44
PGR P06401 1/20 0.44
SERPINA6 P08185 1/20 0.44
NR3C2 P08235 1/20 0.44
CYP3A4 P08684 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MGAM O43451 1/20 0.44
PRKCA P17252 1/20 0.42
MBOAT4 Q96T53 1/20 0.39
PDK1 Q15118 2/20 0.38
PDK2 Q15119 2/20 0.38
PDK3 Q15120 2/20 0.38
PDK4 Q16654 2/20 0.38
LMNA P02545 1/20 0.38

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
Acetic Acid SCHEMBL636808 0.86 CYP19A1 (0.53) CYP19A1SHBGARGPBAR1NR3C1
SCHEMBL145680 0.86 CYP19A1 (0.57) CYP19A1SHBGARGPBAR1NR3C1
SCHEMBL4936801 0.86 CYP19A1 (0.57) CYP19A1SHBGARGPBAR1NR3C1
SCHEMBL11332329 0.86 CYP19A1 (0.57) CYP19A1SHBGARGPBAR1NR3C1
Stenbolone Acetate SCHEMBL636807 0.78 CYP19A1 (0.48) CYP19A1CYP3A4MBOAT4LMNA
Stenbolone Acetate SCHEMBL11316312 0.78 CYP19A1 (0.48) CYP19A1CYP3A4MBOAT4LMNA
SCHEMBL10891187 0.74 CYP19A1 (0.56) CYP19A1SHBGARGPBAR1NR3C1
SCHEMBL10891182 0.74 CYP19A1 (0.56) CYP19A1SHBGARGPBAR1NR3C1
SCHEMBL11324212 0.73 MBOAT4 (0.46) CYP19A1SHBGARGPBAR1NR3C1
SCHEMBL11324207 0.73 MBOAT4 (0.46) CYP19A1SHBGARGPBAR1NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102225046-A Transdermal drug delivery formulation NUVO RES INC 2011-10-26 CN disclosed
CN-101296691-B Transdermal drug delivery dosage form NUVO RES INC 2011-07-27 CN disclosed
CN-101296691-A transdermal drug delivery dosage form NUVO RES INC (CA) 2008-10-29 CN disclosed