SCHEMBL10656266

SCHEMBL10656266

Cc1ccccc1C=C1C(=O)COC1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
TTR P02766 1/20 0.45
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
NAT1 P18440 1/20 0.43
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ACHE P22303 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALPL P05186 1/20 0.37

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
SCHEMBL10743231 1.00 KDM4E (0.49) KDM4ECYP1A2CYP2C19TTRALDH1A1
SCHEMBL2442644 0.76 HPGD (0.50) KDM4ECYP1A2ALDH1A1KMT2AMEN1
SCHEMBL13355216 0.76 HPGD (0.50) KDM4ECYP1A2ALDH1A1KMT2AMEN1
SCHEMBL2442647 0.76 HPGD (0.50) KDM4ECYP1A2ALDH1A1KMT2AMEN1
SCHEMBL7010383 0.74 MAPT (0.52) KDM4EALDH1A1KMT2AMEN1RAB9A
SCHEMBL9794714 0.73 MAPT (0.56) KDM4EALDH1A1KMT2AMEN1RAB9A
SCHEMBL9794716 0.73 MAPT (0.56) KDM4EALDH1A1KMT2AMEN1RAB9A
SCHEMBL9794697 0.72 MAPT (0.57) KDM4ECYP1A2CYP2C19ALDH1A1KMT2A
SCHEMBL12127310 0.72 KDM4E (0.58) KDM4ECYP1A2CYP2C19ALDH1A1TSHR
SCHEMBL30395714 0.72 KDM4E (0.58) KDM4ECYP1A2CYP2C19ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0160256-B1 CONDENSED FURANONES, PROCESS FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL USE BAYER AG (DE) 1988-09-28 EP disclosed
US-4762853-A 1-oxo-1,3,4,7-tetrahydrobenzo[C]furans BAYER AKTIENGESELLSCHAFT (DE) 1988-08-09 US disclosed
US-4668691-A Circulation-active novel 7-aryl-or pyridyl-1-oxo-1,c,4,7-tetrahydrobenzofurans BAYER AKTIENGESELLSCHAFT (DE) 1987-05-26 US disclosed
EP-0160256-A2 Condensed furanones, process for their preparation and their pharmaceutical use BAYER AG (DE) 1985-11-06 EP disclosed