SCHEMBL3940036

SCHEMBL3940036

COc1ccc2c(C(=O)OC(C)(C)C)c(B(O)O)[nH]c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.45
ALDH1A1 P00352 5/20 0.45
MAPT P10636 4/20 0.45
GAA P10253 3/20 0.45
ALOX15 P16050 2/20 0.45
HSD17B10 Q99714 2/20 0.45
HPGD P15428 2/20 0.45
USP2 O75604 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TUBB1 Q9H4B7 3/20 0.44
KMT2A Q03164 2/20 0.41
TUBB4A P04350 2/20 0.41
TUBB P07437 2/20 0.41
TUBA3C P0DPH7 2/20 0.41
TUBA1B P68363 2/20 0.41
TUBA4A P68366 2/20 0.41
TUBB4B P68371 2/20 0.41
TUBB3 Q13509 2/20 0.41
TUBB2A Q13885 2/20 0.41
TUBB8 Q3ZCM7 2/20 0.41

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
SCHEMBL3940317 0.90 ALDH1A1 (0.47) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL4842628 0.88 KIF11 (0.45) KDM4EGAAKMT2A
SCHEMBL5960262 0.84 RAB9A (0.52) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL3948589 0.82 CTSV (0.48) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL4843129 0.82 KDM4E (0.47) KDM4EALDH1A1MAPTGAAALOX15
SCHEMBL14784928 0.81 GABRA1 (0.42)
SCHEMBL3788709 0.80 GABRA1 (0.49) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL4069744 0.76 GABRA1 (0.55) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL31196064 0.76 GABRA1 (0.55) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3649418 0.73 GABRA1 (0.50) KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2477981-A1 HETEROCYCLIC MGLU5 ANTAGONISTS Recordati Ireland Limited (IE) 2012-07-25 EP disclosed
EP-2049536-A2 POLYCYCLIC VIRAL INHIBITORS GENELABS TECHNOLOGIES, INC. (US) 2009-04-22 EP disclosed
EP-1979315-A2 METHODS FOR TREATING HEPATITIS C PTC Therapeutics, Inc. (US) 2008-10-15 EP disclosed
WO-2008011521-A2 POLYCYCLIC VIRAL INHIBITORS GENELABS TECHNOLOGIES, INC. (US) 2008-01-24 WO disclosed
WO-2007084435-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed
EP-1771169-A1 METHODS FOR TREATING HEPATITIS C PTC Therapeutics, Inc. (US) 2007-04-11 EP disclosed
WO-2006019831-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2006-02-23 WO disclosed