SCHEMBL7617607

SCHEMBL7617607

O=[C]OCc1ccccc1.[CH3]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.50
▸ IDO1 P14902 1/20 0.46
▸ AGXT P21549 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ SLC6A2 P23975 2/20 0.42
▸ SLC6A3 Q01959 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ MAOB P27338 1/20 0.39
▸ NSD2 O96028 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ RIN1 Q13671 1/20 0.39
▸ NCOR2 Q9Y618 1/20 0.39
▸ LMNA P02545 2/20 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
SCHEMBL502 0.98 TSHR (0.52) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL8881644 0.98 TSHR (0.52) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL27597789 0.93 TSHR (0.48) TSHRIDO1AGXTALDH1A1CA1
Cyanide SCHEMBL27392144 0.91 TSHR (0.46) TSHRIDO1AGXTALDH1A1CA1
Methylene Chloride SCHEMBL28121276 0.91 TSHR (0.46) TSHRIDO1AGXTALDH1A1CA1
Methyl Alcohol SCHEMBL28296456 0.91 ALDH1A1 (0.50) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL131471 0.85 IDO1 (0.55) TSHRIDO1AGXTLMNAPTGS1
SCHEMBL5545390 0.84 LMNA (0.58) CA1CA2CA9L3MBTL1SLC6A2
Phthalazine SCHEMBL29114773 0.82 TSHR (0.39) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL11307829 0.82 ALOX15 (0.45) TSHRIDO1AGXTALDH1A1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109662961-A For improving the method and composition of cognitive function 约翰斯霍普金斯大学 2019-04-23 — — CN disclosed
CN-109662964-A For improving the method and composition of cognitive function 约翰斯.霍普金斯大学 2019-04-23 — — CN disclosed
CN-107243007-A Improve the method and composition of cognitive function 约翰斯.霍普金斯大学 2017-10-13 — — CN disclosed
EP-1192465-A1 DETECTION USING DENDRIMERS BEARING LABELS AND PROBES DAKO A/S (DK) 2002-04-03 — — EP disclosed
WO-2001002861-A1 DETECTION USING DENDRIMERS BEARING LABELS AND PROBES DAKO A/S (DK) 2001-01-11 — — WO disclosed
Send feedback