SCHEMBL6965825

SCHEMBL6965825

O=C(O)c1ccccc1C(=O)/C=C/c1cccc(OCc2ccc3ccccc3n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR1 Q9Y271 19/20 1.00
▸ CYSLTR2 Q9NS75 17/20 1.00
▸ GPBAR1 Q8TDU6 1/20 0.62
▸ KDM4E B2RXH2 1/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ NPC1 O15118 1/20 0.60
▸ ALDH1A1 P00352 1/20 0.60
▸ LMNA P02545 1/20 0.60
▸ TP53 P04637 1/20 0.60
▸ CYP1A2 P05177 1/20 0.60
▸ CYP3A4 P08684 1/20 0.60
▸ CYP2D6 P10635 1/20 0.60
▸ MAPT P10636 1/20 0.60
▸ CYP2C9 P11712 1/20 0.60
▸ TSHR P16473 1/20 0.60
▸ MAPK1 P28482 1/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ THPO P40225 1/20 0.60
▸ BLM P54132 1/20 0.60
▸ PMP22 Q01453 1/20 0.60

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
SCHEMBL6965832 1.00 CYSLTR1 (1.00) CYSLTR1CYSLTR2GPBAR1KDM4EMEN1
SCHEMBL30382705 1.00 CYSLTR1 (1.00) CYSLTR1CYSLTR2GPBAR1KDM4EMEN1
SCHEMBL6958782 0.93 CYSLTR1 (1.00) CYSLTR1CYSLTR2GPBAR1
SCHEMBL6958788 0.93 CYSLTR1 (1.00) CYSLTR1CYSLTR2GPBAR1
SCHEMBL6965145 0.89 CYSLTR2 (1.00) CYSLTR1CYSLTR2GPBAR1
SCHEMBL6965141 0.89 CYSLTR2 (1.00) CYSLTR1CYSLTR2GPBAR1
SCHEMBL30383176 0.89 CYSLTR2 (1.00) CYSLTR1CYSLTR2GPBAR1
SCHEMBL6969673 0.88 CYSLTR1 (1.00) CYSLTR1CYSLTR2GPBAR1
SCHEMBL6969679 0.88 CYSLTR1 (1.00) CYSLTR1CYSLTR2GPBAR1
SCHEMBL6967364 0.88 CYSLTR1 (1.00) CYSLTR1CYSLTR2GPBAR1

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-0902007-B1 CHALCONE DERIVATIVES AND DRUGS CONTAINING THE SAME KOWA CO (JP) 2003-11-05 — — EP disclosed
EP-0902007-A1 CHALCONE DERIVATIVES AND DRUGS CONTAINING THE SAME KOWA CO. LTD. (JP) 1999-03-17 — — EP disclosed
Send feedback