SCHEMBL8333327

SCHEMBL8333327

C=C(OC(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.49
MAPT P10636 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TNF P01375 1/20 0.47
KLF5 Q13887 1/20 0.47
NOD1 Q9Y239 1/20 0.47
LMNA P02545 2/20 0.45
KCNK9 Q9NPC2 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.41
NR1H4 Q96RI1 3/20 0.40
RXRB P28702 2/20 0.40
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PPARG P37231 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 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
SCHEMBL5079256 0.84 TDP1 (0.59) TDP1MAPTL3MBTL1TNFKLF5
SCHEMBL446400 0.78 TDP1 (0.69) TDP1MAPTL3MBTL1TNFKLF5
SCHEMBL9699955 0.77 TDP1 (0.51) TDP1MAPTL3MBTL1TNFKLF5
SCHEMBL28228520 0.77 TDP1 (0.51) TDP1MAPTL3MBTL1TNFKLF5
SCHEMBL29212909 0.77 MAPT (0.55) TDP1MAPTL3MBTL1TNFKLF5
SCHEMBL27332603 0.74 ACHE (0.56) TDP1MAPTL3MBTL1TNFKLF5
SCHEMBL19875749 0.74 TDP1 (0.63) TDP1MAPTL3MBTL1TNFKLF5
SCHEMBL19875751 0.74 TDP1 (0.63) TDP1MAPTL3MBTL1TNFKLF5
SCHEMBL29212907 0.74 SMN1; SMN2 (0.53) TDP1MAPTL3MBTL1TNFKLF5
SCHEMBL28343567 0.74 MAPT (0.58) TDP1MAPTL3MBTL1TNFKLF5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5962731-A MODIFY LIPID METABOLISM; SKIN DISORDERS,; AUTOIMMUNE DISEASES; FATTY ACID METABOLISM; ANTITUMOR AGENTS LIGAND PHARMACEUTICALS INCORPORATED (US) 1999-10-05 US claimed
US-5962731-A MODIFY LIPID METABOLISM; SKIN DISORDERS,; AUTOIMMUNE DISEASES; FATTY ACID METABOLISM; ANTITUMOR AGENTS LIGAND PHARMACEUTICALS INCORPORATED (US) 1999-10-05 US disclosed