SCHEMBL9435378

SCHEMBL9435378

CCCCCCCCN(CCCCCCCC)C(=O)Nc1ccc(OC)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.56
CNR2 P34972 2/20 0.56
PPARG P37231 1/20 0.55
PPARD Q03181 1/20 0.55
PPARA Q07869 1/20 0.55
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49

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
SCHEMBL9435552 0.82 GAA (0.56) CNR2PPARGPPARDPPARACA12
SCHEMBL25276969 0.82 CA12 (0.64) CA12CA1CA2CA9HDAC3
SCHEMBL9435656 0.82 CA12 (0.64) CA12CA1CA2CA9HDAC3
SCHEMBL10891080 0.82 HDAC6 (0.63) SMN1; SMN2RAB9AHDAC3HDAC4HDAC1
SCHEMBL8923385 0.81 PPARA (0.70) PPARGPPARDPPARAHDAC3HDAC4
SCHEMBL8923391 0.81 HDAC6 (0.48) CNR1CNR2PPARGPPARDPPARA
SCHEMBL10596306 0.80 CA12 (0.61) CA12CA1CA2CA9HDAC3
SCHEMBL8923396 0.80 HDAC6 (0.47) CNR1CNR2PPARGPPARDPPARA
SCHEMBL5974889 0.79 PPARA (0.53) PPARGPPARDPPARA
SCHEMBL8768767 0.78 PPARA (0.47) CNR1CNR2PPARGPPARDPPARA

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-5283362-A Reacting with an amine, terminating the reaction before the formation of by-product CHEMIE LINZ GESELLSCHAFT M.B.H. (AT) 1994-02-01 US disclosed