SCHEMBL19087207

SCHEMBL19087207

COCCCOc1cc(CC(=O)C(C)(C)CO)ccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 2/20 0.38
▸ PPARG P37231 1/20 0.38
▸ PPARD Q03181 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KDM4E B2RXH2 4/20 0.37
▸ MAPK1 P28482 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ VNN1 O95497 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ LMNA P02545 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ HDAC8 Q9BY41 2/20 0.36
▸ KDM1A O60341 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36

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
SCHEMBL17721710 0.90 PPARA (0.38) PPARAPPARGPPARDCA2SMN1; SMN2
SCHEMBL29840567 0.88 PPARG (0.40) PPARAPPARGPPARDCA2SMN1; SMN2
SCHEMBL16929982 0.88 PPARG (0.40) PPARAPPARGPPARDCA2SMN1; SMN2
SCHEMBL19252776 0.86 REN (0.46) PPARAHPGDNPC1MAPTLMNA
SCHEMBL19815542 0.81 PPARA (0.41) PPARAPPARGPPARDKDM4EMAPK1
SCHEMBL8285816 0.80 ALDH1A1 (0.43) SMN1; SMN2HPGDNPC1RAB9AKDM4E
SCHEMBL29840555 0.80 KDM4E (0.41) PPARAPPARDCA2SMN1; SMN2HPGD
SCHEMBL16930147 0.80 KDM4E (0.41) PPARAPPARDCA2SMN1; SMN2HPGD
SCHEMBL17709394 0.78 REN (0.45) PPARAHPGDNPC1MAPTLMNA
SCHEMBL16929923 0.77 CA2 (0.38) PPARAPPARGPPARDCA2SMN1; SMN2

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
WO-2017114812-A1 COMBINATION THERAPY OF AN HBSAG INHIBITOR AND AN INTERFERON F. HOFFMANN-LA ROCHE AG (CH) 2017-07-06 — — WO disclosed
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