SCHEMBL10451636

SCHEMBL10451636

CC(=O)OC(OC(C)=O)C(=O)c1ccccc1C(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.52
ALDH1A1 P00352 4/20 0.50
CYP3A4 P08684 1/20 0.50
ELANE P08246 2/20 0.46
MAPT P10636 3/20 0.45
MAPK1 P28482 2/20 0.45
GAA P10253 1/20 0.44
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CDC25B P30305 1/20 0.42
ATM Q13315 1/20 0.42
ESR1 P03372 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
HMGB1 P09429 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
GGT1 P19440 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42

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
SCHEMBL29009563 0.83 AKR1C3 (0.55) AKR1C3ALDH1A1CYP3A4ELANEMAPT
SCHEMBL156451 0.82 ALDH1A1 (0.65) ALDH1A1CYP3A4ELANEMAPTMAPK1
SCHEMBL27596867 0.80 AKR1C3 (0.52) AKR1C3ALDH1A1CYP3A4ELANEMAPT
SCHEMBL10137795 0.77 AKR1C3 (0.61) AKR1C3ALDH1A1ELANEMAPTGAA
SCHEMBL700595 0.75 AKR1C3 (0.85) AKR1C3ALDH1A1MAPTGAAKDM4E
SCHEMBL29447165 0.75 AKR1C3 (0.85) AKR1C3ALDH1A1MAPTGAAKDM4E
SCHEMBL27324470 0.75 AKR1C3 (0.59) AKR1C3ALDH1A1ELANEMAPTGAA
SCHEMBL822891 0.74 AKR1C3 (0.68) AKR1C3ALDH1A1ELANEMAPTGAA
Acetic Acid Methyl Ester SCHEMBL28120666 0.74 AKR1C3 (0.57) AKR1C3ALDH1A1CYP3A4ELANEMAPT
SCHEMBL26661026 0.74 AKR1C3 (0.57) AKR1C3ALDH1A1CYP3A4ELANEMAPT

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-0184233-B1 DRUG DISPENSING WOUND DRESSING THERMEDICS, INC. (US) 1990-05-23 EP claimed
US-RE32991-E Drug dispensing wound dressing THERMEDICS, INC. (US) 1989-07-18 US claimed
US-4614787-A POLYURETHANE MATRIX THERMEDICS, INC. (US) 1986-09-30 US claimed
EP-0184233-A2 Drug dispensing wound dressing THERMEDICS, INC. (US) 1986-06-11 EP claimed