SCHEMBL7712966

SCHEMBL7712966

Cc1ccc(C(=O)CC(C)C(=O)O)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 12/20 0.40
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
APAF1 O14727 2/20 0.33
HMBS P08397 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL7706783 1.00 STING1 (0.40) STING1MAPTL3MBTL1ALDH1A1LMNA
SCHEMBL24630421 0.74 HMBS (0.42) MAPTL3MBTL1ALDH1A1LMNAHPGD
SCHEMBL7712979 0.72 GSK3B (0.45) MAPTALDH1A1HPGDHMBSKDM4E
SCHEMBL25139462 0.71 HMBS (0.36) MAPTL3MBTL1LMNAHMBSKDM4E
SCHEMBL8775647 0.69 ALDH1A1 (0.58) MAPTL3MBTL1ALDH1A1LMNAHPGD
SCHEMBL135355 0.68 L3MBTL1 (0.66) MAPTL3MBTL1ALDH1A1LMNAHPGD
SCHEMBL9337759 0.68 HMBS (0.50) ALDH1A1LMNAHPGDSMN1; SMN2HMBS
SCHEMBL11161484 0.64 KMT2A (0.57) MAPTL3MBTL1ALDH1A1LMNAHPGD
SCHEMBL4686815 0.64 MEN1 (0.54) MAPTL3MBTL1ALDH1A1LMNAHPGD
SCHEMBL8306301 0.64 POLB (0.64) MAPTL3MBTL1ALDH1A1LMNAHPGD

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-6610730-B2 Viricides; protease inbhibitor AGOURON PHARMACEUTICALS, INC. 2003-08-26 US disclosed