SCHEMBL8497342

SCHEMBL8497342

COc1c(OC(=O)c2ccccc2)c(=O)oc2cc(O)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.49
ALDH1A1 P00352 8/20 0.49
KDM4E B2RXH2 7/20 0.49
GLA P06280 6/20 0.49
HPGD P15428 5/20 0.49
MAPT P10636 4/20 0.48
NPSR1 Q6W5P4 3/20 0.48
RXFP1 Q9HBX9 1/20 0.48
ERAP1 Q9NZ08 2/20 0.47
KMT2A Q03164 5/20 0.47
NPBWR1 P48145 1/20 0.46
HSD17B3 P37058 2/20 0.46
MAOA P21397 2/20 0.45
MAP1LC3B Q9GZQ8 1/20 0.45
MAP1LC3A Q9H492 1/20 0.45
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MIF P14174 1/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 2/20 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
SCHEMBL8496994 0.95 GAA (0.49) GAAALDH1A1KDM4EGLAHPGD
SCHEMBL8491606 0.92 NPSR1 (0.52) GAAALDH1A1KDM4EGLAHPGD
SCHEMBL8491333 0.90 KDM4E (0.47) GAAALDH1A1KDM4EGLAHPGD
SCHEMBL8492630 0.89 NPSR1 (0.47) GAAALDH1A1KDM4EGLAHPGD
SCHEMBL8494027 0.89 NPSR1 (0.47) GAAALDH1A1KDM4EGLAHPGD
SCHEMBL8496106 0.88 KDM4E (0.55) GAAALDH1A1KDM4EGLAHPGD
SCHEMBL8490618 0.86 MAP1LC3B (0.53) GAAALDH1A1KDM4EGLAHPGD
SCHEMBL8490540 0.86 NQO1 (0.52) GAAALDH1A1KDM4EGLAHPGD
SCHEMBL8495007 0.85 KDM4E (0.55) GAAALDH1A1KDM4EGLAHPGD
SCHEMBL8496706 0.85 KDM4E (0.46) GAAALDH1A1KDM4EGLAHPGD

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