SCHEMBL4302010

SCHEMBL4302010

COc1ccc(-c2cc3cc(CCCN4C[C@@H](C)O[C@@H](C)C4)ccc3o2)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.64
S1PR1 P21453 2/20 0.45
SIGMAR1 Q99720 4/20 0.44
KDM4E B2RXH2 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALOX5 P09917 2/20 0.42
EBP Q15125 2/20 0.42
TMEM97 Q5BJF2 1/20 0.42
ABCB1 P08183 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAOB P27338 1/20 0.40
EBPL Q9BY08 1/20 0.39
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
PTGES O14684 1/20 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
SCHEMBL3013499 0.82 CYP2C8 (0.56) CYP2C8S1PR1KDM4EALDH1A1HPGD
SCHEMBL12544517 0.82 CYP2C8 (0.56) CYP2C8S1PR1KDM4EALDH1A1HPGD
SCHEMBL3015559 0.79 CYP2C8 (0.78) CYP2C8S1PR1KDM4EALOX5ABCB1
SCHEMBL30992329 0.79 CYP2C8 (1.00) CYP2C8S1PR1KDM4EALOX5ABCB1
SCHEMBL3002082 0.79 CYP2C8 (1.00) CYP2C8S1PR1KDM4EALOX5ABCB1
SCHEMBL4002128 0.77 CYP2C8 (0.76) CYP2C8KDM4EALOX5ABCB1ALDH1A1
SCHEMBL3013908 0.76 CYP2C8 (0.86) CYP2C8KDM4EALOX5ABCB1ALDH1A1
SCHEMBL3010742 0.76 CYP2C8 (0.74) CYP2C8KDM4EALOX5ABCB1ALDH1A1
SCHEMBL4145033 0.76 CYP2C8 (0.73) CYP2C8S1PR1ALOX5MAOBPTGES
SCHEMBL3010121 0.75 KMT2A (0.53) CYP2C8S1PR1KDM4EALOX5MAOB

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-2069321-A1 NOVEL BENZOFURAN TYPE DERIVATIVES, A COMPOSITION COMPRISING THE SAME FOR TREATING OR PREVENTING COGNITIVE DYSFUNCTION AND THE USE THEREOF Digital Biotech Co., Ltd. (KR) 2009-06-17 EP disclosed
WO-2008041826-A1 NOVEL BENZOFURAN TYPE DERIVATIVES, A COMPOSITION COMPRISING THE SAME FOR TREATING OR PREVENTING COGNITIVE DYSFUNCTION AND THE USE THEREOF DIGITAL BIOTECH CO., LTD (KR) 2008-04-10 WO disclosed