SCHEMBL8489446

SCHEMBL8489446

CCCCCCCCCCOc1c(OC)c2ccc(O)cc2oc1=O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 3/20 0.50
ALDH1A1 P00352 2/20 0.49
GAA P10253 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GLA P06280 1/20 0.49
HPGD P15428 1/20 0.49
PGAM1 P18669 1/20 0.48
MAPT P10636 1/20 0.48
ERAP1 Q9NZ08 1/20 0.47
PPARG P37231 1/20 0.46
MAP1LC3B Q9GZQ8 1/20 0.46
MAP1LC3A Q9H492 1/20 0.46
ACHE P22303 1/20 0.44

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
SCHEMBL8491511 0.95 HSD17B3 (0.50) HSD17B3ALDH1A1GAAKDM4EGLA
SCHEMBL8489977 0.94 HSD17B3 (0.53) HSD17B3ALDH1A1GAAKDM4EGLA
SCHEMBL8495742 0.90 HSD17B3 (0.47) HSD17B3ALDH1A1GAAKDM4EGLA
SCHEMBL6277201 0.88 MAP1LC3B (0.53) HSD17B3ALDH1A1GAAKDM4EGLA
SCHEMBL8489872 0.88 MAP1LC3B (0.53) HSD17B3ALDH1A1GAAKDM4EGLA
SCHEMBL8488462 0.88 MAP1LC3B (0.53) HSD17B3ALDH1A1GAAKDM4EGLA
SCHEMBL8490526 0.88 HSD17B3 (0.52) HSD17B3ALDH1A1GAAKDM4EGLA
SCHEMBL6277138 0.88 MAP1LC3B (0.53) HSD17B3ALDH1A1GAAKDM4EGLA
SCHEMBL8494490 0.87 HSD17B3 (0.47) HSD17B3ALDH1A1GAAKDM4EGLA
SCHEMBL8491105 0.86 KDM4E (0.51) ALDH1A1GAAKDM4EHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0598117-B1 BENZOPYRAN DERIVATIVE AND ANTIALLERGIC AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT DAINIPPON INK & CHEMICALS (JP) 1999-06-30 EP disclosed
US-5428059-A Benzopyran derivatives and an anti-allergic agent possessing the same as the active ingredient DAINIPPON INK & CHEMICALS, INC. (JP) 1995-06-27 US disclosed
EP-0598117-A1 BENZOPYRAN DERIVATIVE AND ANTIALLERGIC AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT DAINIPPON INK AND CHEMICALS, INC. (JP) 1994-05-25 EP disclosed