SCHEMBL4764852

SCHEMBL4764852

CCCCC(C)[CH]CCC(C)C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
OPRM1 P35372 1/20 0.32
CNR1 P21554 1/20 0.30
ALDH1A1 P00352 2/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL306122 0.88 LMNA (0.33) DNM1TSHRSMN1; SMN2OPRM1
SCHEMBL7014235 0.86 LMNA (0.37) DNM1TSHRSMN1; SMN2OPRM1CNR1
SCHEMBL56651 0.85 DNM1 (0.36) DNM1TSHRSMN1; SMN2OPRM1ALDH1A1
SCHEMBL20605268 0.85 TSHR (0.38) DNM1TSHRSMN1; SMN2OPRM1ALDH1A1
SCHEMBL10498445 0.85 LMNA (0.36) DNM1TSHROPRM1CNR1
SCHEMBL7698918 0.83 DNM1 (0.40) DNM1TSHRSMN1; SMN2OPRM1ALDH1A1
SCHEMBL16649186 0.82 TSHR (0.36) DNM1TSHRSMN1; SMN2OPRM1
SCHEMBL1743891 0.81 DNM1 (0.44) DNM1TSHROPRM1
SCHEMBL3458341 0.81 DNM1 (0.44) DNM1TSHROPRM1
SCHEMBL480983 0.81 DNM1 (0.44) DNM1TSHROPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3121208-A1 POLYMERIC MATERIALS Commonwealth Scientific and Industrial Research Organisation (AU) 2017-01-25 EP disclosed
EP-1968569-A4 BENZOPYRANONE DERIVATIVES AND THEIR USE AS ANTI-CORONAVIRAL AGENTS SINGAPORE POLYTECHNIC (SG) 2008-12-17 EP disclosed
EP-1968569-A1 BENZOPYRANONE DERIVATIVES AND THEIR USE AS ANTI-CORONAVIRAL AGENTS Singapore Polytechnic (SG) 2008-09-17 EP disclosed
WO-2007075145-A1 BENZOPYRANONE DERIVATIVES AND THEIR USE AS ANTI-CORONAVIRAL AGENTS SINGAPORE POLYTECHNIC (SG) 2007-07-05 WO disclosed
EP-1506213-A1 AN ANTIMICROBIAL AGENT GRIFFITH UNIVERSITY (AU) 2005-02-16 EP disclosed
WO-2003097657-A1 AN ANTIMICROBIAL AGENT GRIFFITH UNIVERSITY (AU) 2003-11-27 WO disclosed
EP-1203038-A4 SHAPE MEMORY POLYURETHANE OR POLYURETHANE-UREA POLYMERS AORTECH BIOMATERIALS PTY LTD (AU) 2002-10-30 EP disclosed
EP-1203038-A1 SHAPE MEMORY POLYURETHANE OR POLYURETHANE-UREA POLYMERS AorTech Biomaterials Pty Ltd (AU) 2002-05-08 EP disclosed
WO-2001007499-A1 SHAPE MEMORY POLYURETHANE OR POLYURETHANE-UREA POLYMERS AORTECH BIOMATERIALS PTY LTD. (AU) 2001-02-01 WO disclosed
EP-0525768-A1 Tetralones with pharmacological activity J. URIACH & CIA. S.A. (ES) 1993-02-03 EP disclosed