SCHEMBL6345722

SCHEMBL6345722

Oc1cc2cccc(C3CCCC3)c2cc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
TRPM4 Q8TD43 1/20 0.38
NUDT1 P36639 1/20 0.37
BACE1 P56817 1/20 0.37
HSP90AA1 P07900 1/20 0.37
DRD2 P14416 1/20 0.36
SLC6A4 P31645 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
GRIN2D O15399 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL6346417 0.98 HDAC4 (0.40) HDAC4HDAC2HDAC8TRPM4NUDT1
SCHEMBL6535325 0.82 GRIN2D (0.59) NPC1MAPTGRIN2DGRIN2AGRIN2B
SCHEMBL4722085 0.81 DRD2 (0.41) DRD2SLC6A4MAPTMEN1KMT2A
SCHEMBL27612187 0.81 GRIN2D (0.57) NPC1MAPTGRIN2DGRIN2AGRIN2B
SCHEMBL4721556 0.80 DRD2 (0.40) DRD2SLC6A4KDM4EALDH1A1PTPN5
SCHEMBL4723104 0.78 SLC6A4 (0.41) DRD2SLC6A4MAPTMEN1KMT2A
SCHEMBL27849970 0.76 ALDH1A1 (0.39) DRD2SLC6A4KDM4EALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL30487945 0.76 HSP90AB1 (0.39) DRD2SLC6A4CYP1A2
SCHEMBL497994 0.75 SLC6A4 (0.56) DRD2SLC6A4MEN1KMT2AALDH1A1
SCHEMBL29266777 0.75 ALDH1A1 (0.38) DRD2SLC6A4KDM4EALDH1A1CYP1A2

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
US-6878659-B2 Solid catalyst component for olefin polymerization and catalyst TOHO TITANIUM CO., LTD. (JP) 2005-04-12 US disclosed
US-20040072681-A1 Solid catalyst component for olefin polymerization and catalyst TOHO TITANIUM CO., LTD. (JP) 2004-04-15 US disclosed
EP-1260524-A1 SOLID CATALYST COMPONENT FOR OLEFIN POLYMERIZATION AND CATALYST Toho Titanium Co., Ltd. (JP) 2002-11-27 EP disclosed