SCHEMBL65814

SCHEMBL65814

CCOC(=O)C1C(c2ccc(OCCOc3ccccc3Cl)cc2)CCN(C(=O)O)C1CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.39
PPARA Q07869 3/20 0.39
PPARD Q03181 1/20 0.39
LTA4H P09960 1/20 0.37
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 2/20 0.35
EGFR P00533 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL65299 0.92 LTA4H (0.35) LTA4HALDH1A1TSHRNPC1RAB9A
SCHEMBL64035 0.79 SLC6A2 (0.37) TSHRNPC1RAB9AL3MBTL1KDM4E
SCHEMBL64057 0.76 PPARG (0.39) PPARGPPARAPPARDLTA4HTSHR
SCHEMBL66855 0.76 ELANE (0.38)
SCHEMBL65813 0.75 PPARG (0.40) PPARGPPARAPPARDLTA4HALDH1A1
SCHEMBL64056 0.70 PPARG (0.38) PPARGPPARAPPARDALDH1A1TSHR
SCHEMBL64234 0.69 L3MBTL1 (0.36) LTA4HL3MBTL1MAPTEGFRKDM4E
SCHEMBL15951884 0.68 RIPK1 (0.36) HRH3
SCHEMBL78854 0.68 PPARG (0.40) PPARGPPARAPPARDALDH1A1TSHR
SCHEMBL66293 0.67 PPM1B (0.32)

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-8129538-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-06 US disclosed