SCHEMBL4555336

SCHEMBL4555336

CC#CCOc1ccccc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.57
RAB9A P51151 1/20 0.57
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA4 P22748 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
KDM4E B2RXH2 4/20 0.49
TDP1 Q9NUW8 3/20 0.49
ALDH1A1 P00352 4/20 0.48
HTT P42858 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MIF P14174 1/20 0.46
PDE4B Q07343 2/20 0.46
LMNA P02545 2/20 0.44

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
SCHEMBL10576664 0.81 L3MBTL1 (0.58) L3MBTL1RAB9ACA12CA1CA2
SCHEMBL30772219 0.78 ALDH1A1 (0.57) L3MBTL1RAB9AKDM4ETDP1ALDH1A1
SCHEMBL11882522 0.78 GAA (0.53) CA1CA2ALDH1A1SMN1; SMN2LMNA
SCHEMBL1553402 0.78 CA1 (0.54) L3MBTL1RAB9ACA12CA1CA2
SCHEMBL514580 0.78 CA12 (0.54) L3MBTL1RAB9ACA12CA1CA2
SCHEMBL29679041 0.78 CA12 (0.54) L3MBTL1RAB9ACA12CA1CA2
SCHEMBL6811036 0.78 CA12 (0.54) L3MBTL1RAB9ACA12CA1CA2
SCHEMBL11880043 0.77 PTGS2 (0.61) KDM4ETDP1ALDH1A1HTTMEN1
SCHEMBL22875810 0.76 PDE4B (0.40) L3MBTL1RAB9AKDM4ETDP1ALDH1A1
SCHEMBL1276460 0.76 CA2 (0.53) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035369-A1 THERAPEUTIC COMPOUNDS Fibrotech Therapeutics PTY LTD (AU) 2009-03-18 EP disclosed
WO-2008003141-A1 THERAPEUTIC COMPOUNDS FIBROTECH THERAPEUTICS PTY LTD (AU) 2008-01-10 WO disclosed