SCHEMBL11554392

SCHEMBL11554392

CCOC(=O)C(C)(O)c1ccc(OC)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
ALOX15 P16050 1/20 0.43
STING1 Q86WV6 1/20 0.43
HSD17B10 Q99714 3/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CNR2 P34972 2/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ABCB11 O95342 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
HTR2A P28223 1/20 0.41
PMP22 Q01453 1/20 0.41
PPARA Q07869 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
LPAR1 Q92633 1/20 0.40
MEN1 O00255 2/20 0.40

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
SCHEMBL10901142 0.86 HPGD (0.44) ALDH1A1ALOX15LMNAMAPK1CNR2
SCHEMBL11108069 0.83 ALDH1A1 (0.45) ALDH1A1LMNAMAPK1NPSR1ABCB11
SCHEMBL11839184 0.81 CNR2 (0.44) STING1CNR2POLBMEN1KMT2A
SCHEMBL8125865 0.78 KDM4E (0.44) ALDH1A1ALOX15CNR2POLBTDP1
SCHEMBL15460021 0.77 PPARA (0.55) ALDH1A1HSD17B10LMNAABCB11CYP1A2
SCHEMBL8722216 0.77 KDM4E (0.46) ALDH1A1LMNACYP1A2CYP3A4L3MBTL1
SCHEMBL7526729 0.76 ALDH1A1 (0.49) ALDH1A1HSD17B10MAPK1NPSR1CNR2
SCHEMBL9115762 0.74 CA12 (0.54) ALDH1A1ALOX15LMNACYP1A2CYP3A4
SCHEMBL11839741 0.74 ALDH1A1 (0.49) ALDH1A1ALOX15HSD17B10LMNAMAPK1
SCHEMBL29539579 0.72 CA12 (0.56) ALDH1A1NPSR1CYP1A2CYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4151179-A ANTIINFLAMMATORY AGENTS FISONS LIMITED (GB) 1979-04-24 US disclosed