SCHEMBL11061547

SCHEMBL11061547

C=CCN1C(=O)CCc2cc(O)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.44
LMNA P02545 1/20 0.42
HDAC1 Q13547 5/20 0.41
HDAC8 Q9BY41 5/20 0.41
HDAC6 Q9UBN7 5/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
PBRM1 Q86U86 1/20 0.36
DRD1 P21728 1/20 0.35
CYP26A1 O43174 1/20 0.35
MIF P14174 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
PRKCI P41743 1/20 0.34
AKR1B1 P15121 1/20 0.34

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
SCHEMBL20335483 0.82 ATAD2 (0.67) ATAD2LMNAHDAC1HDAC8HDAC6
SCHEMBL436376 0.82 ATAD2 (0.48) ATAD2LMNATSHRMAPK1POLB
SCHEMBL6811092 0.82 HDAC1 (0.44) ATAD2LMNAHDAC1HDAC8HDAC6
SCHEMBL6808194 0.81 ATAD2 (0.44) ATAD2LMNAHDAC1HDAC8HDAC6
SCHEMBL8224822 0.78 POLB (0.59) POLBCYP1A2
SCHEMBL18092293 0.78 GRIN1 (0.47) ATAD2LMNAMAPK1POLB
SCHEMBL31718454 0.78 ADRA2A (0.47) ATAD2LMNA
SCHEMBL6812177 0.78 HDAC8 (0.47) ATAD2LMNAHDAC1HDAC8HDAC6
SCHEMBL6811559 0.77 SRD5A1 (0.42) ATAD2HDAC1HDAC8HDAC6TSHR
SCHEMBL11062154 0.75 POLB (0.68) HDAC1HDAC8HDAC6POLBCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4435404-A ANTICOAGULANTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-03-06 US disclosed