SCHEMBL9208447

SCHEMBL9208447

COc1c(C)c(C)c2c(c1C)CC(CC(=O)O)O2

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ MIF P14174 2/20 0.36
▸ IMPDH2 P12268 6/20 0.35
▸ IMPDH1 P20839 12/20 0.35
▸ KDM4E B2RXH2 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ UGT2B7 P16662 1/20 0.33
▸ HSD17B10 Q99714 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
Raxofelast SCHEMBL633619 0.86 THRA (0.40) THRATHRBIMPDH2IMPDH1KDM4E
Raxofelast SCHEMBL633620 0.86 THRA (0.40) THRATHRBIMPDH2IMPDH1KDM4E
SCHEMBL7108510 0.81 PSEN1 (0.52) THRATHRB
SCHEMBL6885035 0.81 TSHR (0.39) THRATHRBMIFCYP1A2CYP3A4
SCHEMBL29842394 0.81 TSHR (0.39) THRATHRBMIFCYP1A2CYP3A4
SCHEMBL9210219 0.79 IMPDH2 (0.35) IMPDH2IMPDH1KDM4EHPGDALDH1A1
SCHEMBL9210229 0.79 IMPDH2 (0.35) IMPDH2IMPDH1KDM4EHPGDALDH1A1
SCHEMBL9207927 0.77 KDM4E (0.30) KDM4EHPGDALDH1A1
SCHEMBL9210119 0.75 THRA (0.34) THRATHRBMIFKDM4E
SCHEMBL9786760 0.74 MEN1 (0.36) THRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0413668-B1 New 2,3-dihydro-5-oxy-4,6,7-trimethylbenzofuranes 2-(RS)-substitutes, useful as antioxidizing pharmaceutical products having mucoregolating and anti-ischemic properties FOSCAMA BIOMED CHIM FARMA (IT) 1995-12-06 — — EP disclosed
US-5114966-A Radical scavengers BIOMEDICA FOSCAMA INDUSTRIA CHIMICO-FARMACEUTICA S.P.A. (IT) 1992-05-19 — — US disclosed
Send feedback