SCHEMBL1914535

SCHEMBL1914535

CCOC(=O)Oc1ccccc1C(=O)OOC(=O)c1ccccc1OC(=O)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
KDM4E B2RXH2 4/20 0.44
HSD17B10 Q99714 3/20 0.44
HPGD P15428 2/20 0.44
ALDH1A1 P00352 5/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RECQL P46063 1/20 0.40
LMNA P02545 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
SLC6A3 Q01959 1/20 0.39
TYMS P04818 1/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
XBP1 P17861 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 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
SCHEMBL1914150 0.91 TSHR (0.55) TSHRKDM4EHSD17B10HPGDALDH1A1
SCHEMBL13268420 0.88 KDM4E (0.47) TSHRKDM4EHSD17B10HPGDALDH1A1
SCHEMBL14244423 0.88 TSHR (0.45) TSHRKDM4EHSD17B10HPGDALDH1A1
SCHEMBL1914057 0.87 HPGD (0.59) TSHRKDM4EHSD17B10HPGDALDH1A1
SCHEMBL12768055 0.87 TSHR (0.62) TSHRKDM4EHSD17B10HPGDALDH1A1
SCHEMBL14244271 0.86 TSHR (0.39) TSHRKDM4EHSD17B10HPGDALDH1A1
SCHEMBL1913869 0.84 KDM4E (0.45) TSHRKDM4EHSD17B10HPGDALDH1A1
SCHEMBL1914054 0.84 SLC6A3 (0.54) TSHRKDM4EHSD17B10HPGDALDH1A1
SCHEMBL4391361 0.84 TSHR (0.67) TSHRKDM4EHSD17B10HPGDALDH1A1
SCHEMBL14244316 0.83 TSHR (0.53) TSHRKDM4EHSD17B10HPGDALDH1A1

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
EP-2509944-A1 NOVEL PEROXIDE DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR USE IN HUMAN MEDICINE AND IN COSMETICS FOR THE TREATMENT OR PREVENTION OF ACNE Galderma Research & Development (FR) 2012-10-17 EP claimed
WO-2011070170-A1 NOVEL PEROXIDE DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR USE IN HUMAN MEDICINE AND IN COSMETICS FOR THE TREATMENT OR PREVENTION OF ACNE GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-06-16 WO claimed
EP-2509944-B1 NOVEL PEROXIDE DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR USE IN HUMAN MEDICINE AND IN COSMETICS FOR THE TREATMENT OR PREVENTION OF ACNE GALDERMA RES & DEV (FR) 2014-06-18 EP disclosed
EP-2509944-A1 NOVEL PEROXIDE DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR USE IN HUMAN MEDICINE AND IN COSMETICS FOR THE TREATMENT OR PREVENTION OF ACNE Galderma Research & Development (FR) 2012-10-17 EP disclosed
WO-2011070170-A1 NOVEL PEROXIDE DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR USE IN HUMAN MEDICINE AND IN COSMETICS FOR THE TREATMENT OR PREVENTION OF ACNE GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-06-16 WO disclosed