SCHEMBL11771978

SCHEMBL11771978

Cc1ccc(OC(=O)c2cc(C(C)(C)C)ccc2O)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
PLG P00747 2/20 0.41
KLK1 P06870 2/20 0.41
KLK6 Q92876 2/20 0.41
KLKB1 P03952 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CSNK2A1 P68400 1/20 0.41
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL8205686 0.79 HSD17B10 (0.55) L3MBTL1MAPTHSD17B10ALDH1A1HPGD
SCHEMBL11770685 0.77 MAPT (0.56) HSP90AA1HSP90AB1PLGKLK1KLK6
SCHEMBL11770675 0.77 MAPT (0.47) HSP90AA1HSP90AB1PLGKLK1KLK6
SCHEMBL12919771 0.75 HSD17B10 (0.59) L3MBTL1HSD17B10ALDH1A1HPGDALOX15
SCHEMBL29637890 0.75 CA12 (0.62) HSP90AA1HSP90AB1PLGKLK1KLK6
SCHEMBL648753 0.75 CA12 (0.62) HSP90AA1HSP90AB1PLGKLK1KLK6
SCHEMBL12443402 0.74 HSD17B10 (0.58) HSP90AA1HSP90AB1L3MBTL1MAPTNPSR1
SCHEMBL12626238 0.74 MRGPRX4 (0.44) L3MBTL1MAPTNPSR1TDP1CYP2C19
SCHEMBL15887460 0.74 MRGPRX4 (0.48) L3MBTL1MAPTNPSR1TDP1HSD17B10
SCHEMBL15887459 0.73 L3MBTL1 (0.47) L3MBTL1MAPTNPSR1TDP1ALDH1A1

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-3984940-A Degradable plastic REICH MURRAY 1976-10-12 US disclosed