SCHEMBL7804877

SCHEMBL7804877

COC(=O)CC(C)NC(=O)CCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.57
ALDH1A1 P00352 4/20 0.51
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
RECQL P46063 1/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
RAB9A P51151 1/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 1/20 0.48

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
SCHEMBL4888092 0.84 KDM4E (0.50) SMN1; SMN2ALDH1A1HDAC2HDAC8HDAC6
SCHEMBL4885533 0.83 HDAC2 (0.47) ALDH1A1HDAC2HDAC8HDAC6RECQL
SCHEMBL13825640 0.83 MME (0.50) HDAC2HDAC8HDAC6RECQLKDM4E
SCHEMBL22331980 0.81 RAB9A (0.67) SMN1; SMN2ALDH1A1HDAC2HDAC8HDAC6
SCHEMBL5612230 0.81 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1HDAC2HDAC8HDAC6
SCHEMBL3456224 0.81 RAB9A (0.67) SMN1; SMN2ALDH1A1HDAC2HDAC8HDAC6
SCHEMBL24465203 0.80 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1HDAC2HDAC8HDAC6
SCHEMBL18759281 0.80 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1HDAC2HDAC8HDAC6
SCHEMBL7772333 0.79 ALDH1A1 (0.66) SMN1; SMN2ALDH1A1HDAC2HDAC8HDAC6
SCHEMBL30674431 0.79 MAPT (0.60) SMN1; SMN2ALDH1A1HDAC2HDAC8HDAC6

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-20010037011-A1 Process for forming an amide bond ORTHO-MCNEIL PHARMACEUTICAL, INC. 2001-11-01 US disclosed