SCHEMBL15211368

SCHEMBL15211368

COC(=O)C1COc2cc(OCc3ccc(Cl)cc3Cl)ccc21

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.47
NR4A1 P22736 1/20 0.47
NR4A3 Q92570 1/20 0.47
SLC26A4 O43511 1/20 0.45
POLB P06746 1/20 0.45
S1PR1 P21453 1/20 0.44
LTK P29376 1/20 0.44
TAOK1 Q7L7X3 1/20 0.44
S1PR5 Q9H228 1/20 0.44
FFAR1 O14842 10/20 0.44
PPARD Q03181 3/20 0.43
PPARG P37231 2/20 0.43
P2RX7 Q99572 3/20 0.42
ADAMTS4 O75173 1/20 0.42
MMP13 P45452 1/20 0.42
HPGD P15428 1/20 0.42
INPPL1 O15357 1/20 0.41

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
SCHEMBL15211615 0.89 NR4A2 (0.47) NR4A2NR4A1NR4A3SLC26A4POLB
SCHEMBL17431460 0.88 NR4A2 (0.53) NR4A2NR4A1NR4A3SLC26A4POLB
SCHEMBL17431423 0.87 NR4A2 (0.49) NR4A2NR4A1NR4A3SLC26A4POLB
SCHEMBL17431514 0.85 MMP1 (0.44) NR4A2NR4A1NR4A3SLC26A4POLB
SCHEMBL15211783 0.84 P2RX7 (0.48) NR4A2NR4A1NR4A3SLC26A4POLB
SCHEMBL15220439 0.84 FFAR1 (0.53) NR4A2NR4A1NR4A3FFAR1PPARD
SCHEMBL17431270 0.83 FFAR1 (0.46) NR4A2NR4A1NR4A3SLC26A4POLB
SCHEMBL15211732 0.82 P2RX7 (0.45) NR4A2NR4A1NR4A3SLC26A4POLB
SCHEMBL1679129 0.82 MAP3K14 (0.44) FFAR1PPARDPPARGHPGD
SCHEMBL15211639 0.82 NR4A2 (0.48) NR4A2NR4A1NR4A3SLC26A4POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2838891-B1 AROMATIC RING COMPOUND AS GHRELIN O-ACYLTRANSFERASE INHIBITOR TAKEDA PHARMACEUTICALS CO (JP) 2017-08-02 EP disclosed
US-9238639-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-19 US disclosed
US-9238639-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-19 US disclosed
US-9238639-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-19 US disclosed
EP-2838891-A1 AROMATIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-02-25 EP disclosed
WO-2013125732-A1 AROMATIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-29 WO disclosed