SCHEMBL9200039

SCHEMBL9200039

Cc1c(C)c2c(c(C)c1OCc1ccccc1)CC(CCN1CCOCC1)O2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.42
▸ HTT P42858 1/20 0.42
▸ EGFR P00533 1/20 0.40
▸ MCHR1 Q99705 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ LTA4H P09960 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ DRD1 P21728 1/20 0.37
▸ DRD4 P21917 1/20 0.37
▸ DRD5 P21918 1/20 0.37
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 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
SCHEMBL9200045 1.00 KMT2A (0.42) KMT2AHTTEGFRMCHR1MEN1
Hydrochloric Acid SCHEMBL9204809 0.99 EGFR (0.41) KMT2AHTTEGFRMCHR1MEN1
Hydrochloric Acid SCHEMBL9204800 0.99 EGFR (0.41) KMT2AHTTEGFRMCHR1MEN1
SCHEMBL9203779 0.91 RAB9A (0.42) KMT2AMEN1LTA4HSIGMAR1ALDH1A1
SCHEMBL9203771 0.91 RAB9A (0.42) KMT2AMEN1LTA4HSIGMAR1ALDH1A1
SCHEMBL9201778 0.82 SLC6A2 (0.37) GAADRD1MAPT
SCHEMBL9200278 0.82 L3MBTL1 (0.35) POLBGAASMN1; SMN2ALDH1A1MAPT
SCHEMBL9201969 0.82 PTPN1 (0.38) POLBGAAMAPT
SCHEMBL9201770 0.82 SLC6A2 (0.37) GAADRD1MAPT
SCHEMBL9200269 0.82 L3MBTL1 (0.35) POLBGAASMN1; SMN2ALDH1A1MAPT

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
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
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