SCHEMBL7831379

SCHEMBL7831379

COC(=O)C(Cc1ccc(C)cc1)SC(C(=O)O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PKM P14618 1/20 0.45
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
PSMB5 P28074 2/20 0.43
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PSMB8 P28062 1/20 0.39
EPHX1 P07099 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 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
SCHEMBL7820393 0.88 MEN1 (0.44) PKMKMT2AMEN1PSMB5PPARG
SCHEMBL22394804 0.76 ESR1 (0.65) ATML3MBTL1PKMKMT2AMEN1
SCHEMBL7820917 0.74 L3MBTL1 (0.45) ATML3MBTL1PKMKMT2AMEN1
SCHEMBL7831378 0.72 PPARG (0.52) ATML3MBTL1PKMPPARGPPARA
SCHEMBL5424343 0.71 LMNA (0.54) L3MBTL1PKMKMT2AMEN1SMN1; SMN2
SCHEMBL22394826 0.70 SMN1; SMN2 (0.56) KMT2AMEN1PSMB5PPARGPPARA
SCHEMBL16327191 0.69 PTPRB (0.59) ATML3MBTL1PPARGPPARAESR1
SCHEMBL6054516 0.69 ATM (0.48) ATMKMT2AMEN1
SCHEMBL1855181 0.69 ATM (0.48) ATML3MBTL1KMT2AMEN1PPARG
SCHEMBL7896758 0.69 PPARG (0.53) KMT2AMEN1PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0460488-B1 Sulfur-containing heterocyclic compounds TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-07-11 EP disclosed
US-5158943-A Osteoporosis TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-10-27 US disclosed
EP-0460488-A1 Sulfur-containing heterocyclic compounds Takeda Chemical Industries, Ltd. (JP) 1991-12-11 EP disclosed