SCHEMBL7831378

SCHEMBL7831378

COC(=O)C(Cc1ccc(C)cc1)SCc1ccccc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.52
PPARA Q07869 6/20 0.52
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
SLC16A3 O15427 1/20 0.39
DPP4 P27487 1/20 0.38
TSHR P16473 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL1855181 0.78 ATM (0.48) PPARGPPARAATML3MBTL1NPC1
SCHEMBL7831379 0.72 ATM (0.47) PPARGPPARAATML3MBTL1SMN1; SMN2
SCHEMBL7820917 0.71 L3MBTL1 (0.45) PPARGPPARAATML3MBTL1NPC1
SCHEMBL21961155 0.70 ALDH1A1 (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL4908158 0.70 TSHR (0.72) NPC1RAB9ATP53SMN1; SMN2ALDH1A1
SCHEMBL9644043 0.69 ALDH1A1 (0.67) L3MBTL1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL27388644 0.68 TSHR (0.53) PPARGPPARAATML3MBTL1ALDH1A1
SCHEMBL7820392 0.68 L3MBTL1 (0.45) PPARGPPARAL3MBTL1NPC1RAB9A
SCHEMBL8188813 0.68 CYP2C9 (0.47) PPARGPPARA
SCHEMBL8390339 0.68 CYP2C9 (0.47) PPARGPPARA

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