SCHEMBL8173885

SCHEMBL8173885

COc1ccc(C)cc1Oc1cccc(Cn2cc(CC(=O)O)c3ccccc32)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.57
▸ LMNA P02545 2/20 0.57
▸ PPARG P37231 2/20 0.51
▸ PPARD Q03181 2/20 0.51
▸ PPARA Q07869 2/20 0.51
▸ PLA2G2A P14555 2/20 0.49
▸ CHRNB2 P17787 2/20 0.48
▸ CHRNA7 P36544 2/20 0.48
▸ CHRNA4 P43681 2/20 0.48
▸ ICMT O60725 3/20 0.47
▸ MAPT P10636 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ MCL1 Q07820 1/20 0.45
▸ CCR8 P51685 1/20 0.44

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
SCHEMBL13931408 0.92 ALDH1A1 (0.58) ALDH1A1LMNAPPARGPPARDPPARA
SCHEMBL8188581 0.91 ALDH1A1 (0.62) ALDH1A1LMNAPPARGPPARDPPARA
SCHEMBL13931407 0.90 ALDH1A1 (0.60) ALDH1A1LMNAPPARGPPARDPPARA
SCHEMBL8173991 0.88 ALDH1A1 (0.58) ALDH1A1LMNAPPARGPPARDPPARA
SCHEMBL13931405 0.87 ALDH1A1 (0.59) ALDH1A1LMNAPPARGPPARDPPARA
SCHEMBL8171623 0.85 ALDH1A1 (0.64) ALDH1A1LMNAPPARGPPARDPPARA
SCHEMBL8165182 0.84 ALDH1A1 (0.63) ALDH1A1LMNAPPARGPPARDPPARA
SCHEMBL13931023 0.84 LMNA (0.71) ALDH1A1LMNAPPARGPPARDPPARA
SCHEMBL8174542 0.83 LMNA (0.70) ALDH1A1LMNAPPARGPPARDPPARA
SCHEMBL8167192 0.83 PLA2G2A (0.60) ALDH1A1LMNAPPARGPPARDPPARA

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-2008100867-A2 NOVEL INHIBITORS HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2008-08-21 — — WO disclosed
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