SCHEMBL9752010

SCHEMBL9752010

COC(=O)C1Oc2c(C)cccc2Cc2cccc(C)c2O1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 1/20 0.34
PARP1 P09874 3/20 0.33
LMNA P02545 1/20 0.33
TRPA1 O75762 2/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL9752013 0.92 KMT2A (0.38) L3MBTL1ALDH1A1MAPK1KMT2AMEN1
SCHEMBL9751993 0.84 TDP1 (0.42) L3MBTL1KMT2APARP1
SCHEMBL10471599 0.80 L3MBTL1 (0.36) L3MBTL1ALDH1A1MAPK1KMT2AMEN1
SCHEMBL10470798 0.78 CA12 (0.34) L3MBTL1ALDH1A1KMT2AMEN1LMNA
SCHEMBL10472315 0.78 HDAC4 (0.35) L3MBTL1ALDH1A1KMT2AMEN1TRPA1
SCHEMBL10472427 0.77 MTNR1A (0.39) L3MBTL1ALDH1A1MAPK1CYP2C19KMT2A
SCHEMBL10470238 0.77 TDP1 (0.38) L3MBTL1ALDH1A1TSHR
SCHEMBL10471566 0.77 CTNNB1 (0.39) L3MBTL1ALDH1A1MAPK1CYP2C9CYP2C19
SCHEMBL9752005 0.76 MAOA (0.42) L3MBTL1ALDH1A1MAPK1KMT2ATSHR
SCHEMBL10472007 0.76 HSD17B10 (0.35) L3MBTL1ALDH1A1MAPK1KMT2AMEN1

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