SCHEMBL9263124

SCHEMBL9263124

CCCCCCCC(=O)Nc1cccc(CC(OC)OC)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.60
HDAC3 O15379 2/20 0.57
HDAC1 Q13547 2/20 0.57
HDAC2 Q92769 2/20 0.57
HDAC8 Q9BY41 2/20 0.57
HDAC6 Q9UBN7 2/20 0.57
HDAC4 P56524 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57
KDM4E B2RXH2 1/20 0.53
LMNA P02545 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
EPHX2 P34913 3/20 0.52
POLB P06746 1/20 0.51
SOAT2 O75908 1/20 0.51

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
SCHEMBL9265583 0.84 ENPP2 (0.61) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL29796263 0.83 HDAC3 (0.64) PPARAHDAC3HDAC1HDAC2HDAC8
SCHEMBL28467935 0.83 HDAC3 (0.64) PPARAHDAC3HDAC1HDAC2HDAC8
SCHEMBL11901010 0.81 LMNA (0.69) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL11330626 0.80 LMNA (0.58) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9850285 0.79 LMNA (0.59) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9187158 0.79 LMNA (0.59) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9644602 0.79 NPC1 (0.61) PPARAHDAC3HDAC1HDAC2HDAC8
SCHEMBL21998673 0.78 ALDH1A1 (0.67) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL21998663 0.78 ALDH1A1 (0.67) LMNANPC1RAB9ASMN1; SMN2ALDH1A1

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-5464865-A Enzyme inhibitors as antiinflammatory agents ORTHO PHARMACEUTICAL CORPORATION (US) 1995-11-07 US disclosed