SCHEMBL8495779

SCHEMBL8495779

CCCCCCCCCCOc1ccc2c(OC(=O)c3ccccc3)c(OC(=O)c3ccccc3)c(=O)oc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.53
ALDH1A1 P00352 5/20 0.53
KMT2A Q03164 4/20 0.53
GAA P10253 3/20 0.53
MAOA P21397 4/20 0.52
MAOB P27338 4/20 0.52
HPGD P15428 3/20 0.51
GLA P06280 2/20 0.51
RAB9A P51151 2/20 0.49
NPC1 O15118 2/20 0.49
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.48
NPBWR1 P48145 1/20 0.48
MAP1LC3B Q9GZQ8 1/20 0.48
MAP1LC3A Q9H492 1/20 0.48
ACHE P22303 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
BCHE P06276 2/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL8496644 0.97 KDM4E (0.52) KDM4EALDH1A1KMT2AGAAMAOA
SCHEMBL8490418 0.97 KDM4E (0.52) KDM4EALDH1A1KMT2AGAAMAOA
SCHEMBL8490164 0.96 ALDH1A1 (0.49) KDM4EALDH1A1KMT2AGAAMAOA
SCHEMBL8493164 0.96 ALDH1A1 (0.49) KDM4EALDH1A1KMT2AGAAMAOA
SCHEMBL8495080 0.95 MAOA (0.52) KDM4EALDH1A1KMT2AGAAMAOA
SCHEMBL8495494 0.92 KMT2A (0.50) KDM4EALDH1A1KMT2AGAAMAOA
SCHEMBL8497196 0.92 KDM4E (0.51) KDM4EALDH1A1KMT2AGAAMAOA
SCHEMBL8490529 0.92 MAP1LC3B (0.53) KDM4EALDH1A1KMT2AGAAMAOA
SCHEMBL8496606 0.92 KDM4E (0.51) KDM4EALDH1A1KMT2AGAAMAOA
SCHEMBL8494688 0.91 ALDH1A1 (0.51) KDM4EALDH1A1KMT2AGAAMAOA

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