SCHEMBL9751983

SCHEMBL9751983

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
KCNN4 O15554 1/20 0.39
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
LMNA P02545 1/20 0.37
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36

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
SCHEMBL9752004 0.90 L3MBTL1 (0.40) ALDH1A1KDM4ESMN1; SMN2CYP4F2CYP4A11
SCHEMBL10400577 0.86 ALDH1A1 (0.47) ALDH1A1KDM4ESMN1; SMN2CYP4F2CYP4A11
SCHEMBL9752907 0.76 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2NPSR1LMNA
SCHEMBL9752011 0.75 ALDH1A1 (0.43) ALDH1A1KDM4ESMN1; SMN2CYP4F2CYP4A11
SCHEMBL32687865 0.75 ALDH1A1 (0.54) ALDH1A1KDM4ESMN1; SMN2NPSR1MAPT
SCHEMBL9128468 0.75 ALDH1A1 (0.54) ALDH1A1KDM4ESMN1; SMN2NPSR1MAPT
SCHEMBL7487260 0.73 NISCH (0.54) ALDH1A1KDM4ESMN1; SMN2CYP4F2CYP4A11
SCHEMBL9752020 0.73 TSHR (0.48) ALDH1A1CYP2C19LMNAMAPT
SCHEMBL10470237 0.72 RAB9A (0.39) SMN1; SMN2LMNAGABRA1GABRB2
SCHEMBL10400814 0.72 TSHR (0.43) ALDH1A1KDM4ECYP3A4LMNAGABRA1

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-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
US-4976770-A POSTEMERGENCE, PREEMERGENCE HERBICIDES FERMENTA ASC CORPORATION (US) 1990-12-11 US disclosed