SCHEMBL9203771

SCHEMBL9203771

Cc1c(C)c2c(c(C)c1OCc1ccccc1)CC(CCN1CCN(C)CC1)O2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.37
▸ LTA4H P09960 1/20 0.37
▸ HRH4 Q9H3N8 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ MC4R P32245 1/20 0.36
▸ HTR7 P34969 2/20 0.36
▸ SIGMAR1 Q99720 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ HTR6 P50406 2/20 0.35
▸ BCHE P06276 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ CHRNA7 P36544 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TMEM97 Q5BJF2 1/20 0.34

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
SCHEMBL9203779 1.00 RAB9A (0.42) RAB9ANPC1TP53HRH3LTA4H
SCHEMBL9200045 0.91 KMT2A (0.42) LTA4HSIGMAR1ALDH1A1MEN1KMT2A
SCHEMBL9200039 0.91 KMT2A (0.42) LTA4HSIGMAR1ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL9204800 0.90 EGFR (0.41) RAB9ANPC1LTA4HSIGMAR1ALDH1A1
Hydrochloric Acid SCHEMBL9204809 0.90 EGFR (0.41) RAB9ANPC1LTA4HSIGMAR1ALDH1A1
SCHEMBL9201778 0.82 SLC6A2 (0.37) MAPT
SCHEMBL9200278 0.82 L3MBTL1 (0.35) RAB9ANPC1HTR2AALDH1A1HTR6
SCHEMBL9201770 0.82 SLC6A2 (0.37) MAPT
SCHEMBL9201969 0.82 PTPN1 (0.38) HTR2AHTR6MAPT
SCHEMBL9200269 0.82 L3MBTL1 (0.35) RAB9ANPC1HTR2AALDH1A1HTR6

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
Send feedback