SCHEMBL7649963

SCHEMBL7649963

CCCOc1cccc(C(C)=O)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.54
ALDH1A1 P00352 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
KDM4E B2RXH2 2/20 0.54
MAPT P10636 4/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
CA9 Q16790 1/20 0.46
CYSLTR2 Q9NS75 1/20 0.45
CYSLTR1 Q9Y271 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NR1I2 O75469 1/20 0.45
CHRM2 P08172 1/20 0.45
CYP3A4 P08684 1/20 0.45
ADRA2A P08913 1/20 0.45
OPRK1 P41145 1/20 0.45
HTR2B P41595 1/20 0.45
SLC6A3 Q01959 1/20 0.45

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
SCHEMBL8493622 0.92 LMNA (0.56) LMNAALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL4963086 0.87 ALDH1A1 (0.51) ALDH1A1KDM4EMEN1KMT2AHIF1A
SCHEMBL8117696 0.86 KLK1 (0.56) LMNAALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL3135517 0.84 LMNA (0.74) LMNAALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL11193469 0.84 LMNA (0.51) LMNAALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL9702630 0.83 LMNA (0.54) LMNAALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL385606 0.83 LMNA (0.72) LMNAALDH1A1SMN1; SMN2KDM4EMAPT
Lithium SCHEMBL385607 0.83 LMNA (0.72) LMNAALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL14771346 0.83 CNR1 (0.44) LMNAALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL4961982 0.82 MCHR1 (0.47) LMNAALDH1A1KDM4EMAPTCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6479671-B1 Process for producing optically active chromene derivative SHIONOGI & CO., LTD. (JP) 2002-11-12 US disclosed
US-6218427-B1 AS ENDOTHELIN RECEPTOR ANTAGONIST SHIONOGI & CO., LTD. (JP) 2001-04-17 US disclosed
EP-1057824-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE CHROMENE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2000-12-06 EP disclosed
EP-0634409-B1 Process of producing 2-cyano-4-oxo-4H-benzopyran compounds SUMITOMO CHEMICAL CO (JP) 2000-04-26 EP disclosed
EP-0924207-A1 CHROMENE-3-CARBOXYLATE DERIVATIVES SHIONOGI & CO., LTD. (JP) 1999-06-23 EP disclosed
US-5659051-A Process of producing 2-cyano-4-oxo-4H-benzopyran compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-08-19 US disclosed
EP-0634409-A1 Process of producing 2-cyano-4-oxo-4H-benzopyran compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-01-18 EP disclosed