SCHEMBL370356

SCHEMBL370356

CCC1OC(=O)C=CC1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD4 Q53EL6 6/20 0.49
TUBAL3 A6NHL2 2/20 0.36
TUBA3C P0DPH7 2/20 0.36
TUBA1B P68363 2/20 0.36
TUBA4A P68366 2/20 0.36
TUBA3E Q6PEY2 2/20 0.36
TUBA1A Q71U36 2/20 0.36
TUBA1C Q9BQE3 2/20 0.36
TUBA8 Q9NY65 2/20 0.36
XPO1 O14980 1/20 0.36
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
PRNP P04156 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
THRB P10828 1/20 0.33
NR0B1 P51843 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL10034952 1.00 PDCD4 (0.49) PDCD4TUBAL3TUBA3CTUBA1BTUBA4A
SCHEMBL10066911 0.83 PDCD4 (0.46) PDCD4NPC1RAB9APRNPSMN1; SMN2
SCHEMBL15618062 0.82 PDCD4 (0.44) PDCD4TUBAL3TUBA3CTUBA1BTUBA4A
SCHEMBL10066913 0.82 PDCD4 (0.44) PDCD4TUBAL3TUBA3CTUBA1BTUBA4A
SCHEMBL18850787 0.79 PDCD4 (0.43) PDCD4TUBAL3TUBA3CTUBA1BTUBA4A
SCHEMBL10990251 0.72
SCHEMBL120200 0.72
Ether SCHEMBL11165643 0.72 PDCD4 (0.35) PDCD4TUBAL3TUBA3CTUBA1BTUBA4A
SCHEMBL18181596 0.71
SCHEMBL17904315 0.71

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
EP-1971608-B1 SPIROKETALS ECOBIOTICS LTD (AU) 2012-03-14 EP disclosed