SCHEMBL9752005

SCHEMBL9752005

COC(=O)C1Oc2ccccc2Cc2ccccc2O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
NISCH Q9Y2I1 1/20 0.41
GABRA1 P14867 2/20 0.40
GABRB2 P47870 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
TSHR P16473 3/20 0.37
HPGD P15428 2/20 0.37
ACSL1 P33121 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
ITGA4 P13612 1/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
MAPK1 P28482 2/20 0.36
HSD17B10 Q99714 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 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
SCHEMBL9752008 0.89 KMT2A (0.41) GABRA1GABRB2ACSL1CA12CA9
SCHEMBL10470237 0.89 RAB9A (0.39) MAOBNISCHGABRA1GABRB2TSHR
SCHEMBL10472315 0.88 HDAC4 (0.35) MAOAMAOBNISCHGABRA1GABRB2
SCHEMBL10470798 0.88 CA12 (0.34) MAOAMAOBNISCHGABRA1GABRB2
SCHEMBL9752013 0.88 KMT2A (0.38) MAOAMAOBNISCHGABRA1GABRB2
SCHEMBL10470271 0.88 DRD2 (0.44) MAOBGABRA1GABRB2TSHRHPGD
SCHEMBL10470754 0.88 HDAC4 (0.35) MAOAMAOBNISCHGABRA1GABRB2
SCHEMBL10470278 0.88 HTT (0.40) MAOBTSHRALDH1A1MAPTCA12
SCHEMBL10471599 0.87 L3MBTL1 (0.36) MAOAMAOBNISCHGABRA1GABRB2
SCHEMBL10471566 0.87 CTNNB1 (0.39) GABRA1GABRB2TSHRHPGDALDH1A1

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