SCHEMBL9752004

SCHEMBL9752004

CCOC(=O)C1Oc2ccccc2Cc2ccc(C(C)(C)C)cc2O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 5/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 1/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
GABRA4 P48169 1/20 0.37
GABRE P78334 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
SCHEMBL9751983 0.90 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTCYP4F2CYP4A11
SCHEMBL10400577 0.87 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AKDM4ECYP4F2
SCHEMBL9752907 0.76 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL9752011 0.76 ALDH1A1 (0.43) L3MBTL1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL9128468 0.75 ALDH1A1 (0.54) L3MBTL1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL32687865 0.75 ALDH1A1 (0.54) L3MBTL1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL7487260 0.74 NISCH (0.54) ALDH1A1MEN1KMT2AKDM4ECYP4F2
SCHEMBL9753155 0.73 MAOA (0.39) GABRA1GABRB2TSHRHPGD
SCHEMBL10470237 0.73 RAB9A (0.39) L3MBTL1MEN1KMT2AGABRA1GABRB2
SCHEMBL10400814 0.73 TSHR (0.43) ALDH1A1MEN1KMT2AKDM4EGABRA1

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-0439607-A4 NOVEL GLYOXYLATES AND HERBICIDAL AND PLANT GROWTH REGULANT ACTIVITY OF GLYOXYLATES 1991-12-04 EP disclosed
EP-0439607-A1 NOVEL GLYOXYLATES AND HERBICIDAL AND PLANT GROWTH REGULANT ACTIVITY OF GLYOXYLATES ISK BIOSCIENCES CORPORATION (US) 1991-08-07 EP disclosed
WO-1991000009-A1 NOVEL GLYOXYLATES AND HERBICIDAL AND PLANT GROWTH REGULANT ACTIVITY OF GLYOXYLATES FERMENTA ASC CORPORATION (US) 1991-01-10 WO disclosed