SCHEMBL6315165

SCHEMBL6315165

Cc1cc(O)c(C(C)(C)C)cc1N=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.52
▸ ALOX15 P16050 5/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ CYP1A2 P05177 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ ATP2A2 P16615 1/20 0.52
▸ ATP2A3 Q93084 1/20 0.52
▸ TP53 P04637 3/20 0.52
▸ CYP3A4 P08684 2/20 0.52
▸ TSHR P16473 2/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ HIF1A Q16665 1/20 0.52
▸ CYP2C9 P11712 3/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ LMNA P02545 3/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HTT P42858 4/20 0.39

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
SCHEMBL18737418 0.84 ALDH1A1 (0.62) ALDH1A1ALOX15SMN1; SMN2CYP1A2KDM4E
SCHEMBL18072576 0.79 HTT (0.44) ALDH1A1ALOX15SMN1; SMN2CYP1A2KDM4E
SCHEMBL13263387 0.79 ALOX15 (0.73) ALDH1A1ALOX15SMN1; SMN2CYP1A2KDM4E
SCHEMBL9464262 0.77 MAPT (0.48) ALDH1A1ALOX15CYP1A2KDM4EMAPT
SCHEMBL30903400 0.77 MAPT (0.48) ALDH1A1ALOX15CYP1A2KDM4EMAPT
SCHEMBL395984 0.77 ALOX15 (0.70) ALDH1A1ALOX15SMN1; SMN2CYP1A2KDM4E
SCHEMBL29872633 0.77 ALOX15 (0.70) ALDH1A1ALOX15SMN1; SMN2CYP1A2KDM4E
SCHEMBL5470246 0.74 ALOX15 (0.75) ALDH1A1ALOX15SMN1; SMN2CYP1A2KDM4E
SCHEMBL824520 0.74 ALOX15 (0.67) ALDH1A1ALOX15SMN1; SMN2CYP1A2KDM4E
SCHEMBL29395805 0.74 ALOX15 (0.67) ALDH1A1ALOX15SMN1; SMN2CYP1A2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6872718-B1 Tricyclic dihydrobenzofuran derivatives, process for the preparation thereof and agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-03-29 — — US disclosed
EP-1211253-B1 TRICYCLIC DIHYDROBENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-10-13 — — EP disclosed
EP-1211253-A1 TRICYCLIC DIHYDROBENZOFURAN DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS Takeda Chemical Industries, Ltd. (JP) 2002-06-05 — — EP disclosed
US-4237326-A SOLUTION OF METHYLATED BENZOQUINONE-4-OXIME MITSUBISHI PETROCHEMICAL COMPANY LIMITED (JP) 1980-12-02 — — US disclosed
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