SCHEMBL329042

SCHEMBL329042

CCC[C@@H](C(O)C(=O)NC1CC1)N(Cc1ccccc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.44
YAP1 P46937 1/20 0.43
TEAD4 Q15561 1/20 0.43
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
GPR88 Q9GZN0 1/20 0.41
PTGES O14684 1/20 0.39

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
SCHEMBL4329166 0.89 TP53 (0.47) TP53YAP1TEAD4MAPTSMN1; SMN2
SCHEMBL841382 0.89 TP53 (0.47) TP53YAP1TEAD4MAPTSMN1; SMN2
SCHEMBL1445825 0.86 TP53 (0.43) TP53YAP1TEAD4MAPTSMN1; SMN2
SCHEMBL4324743 0.81 TP53 (0.49) TP53YAP1TEAD4MAPTSMN1; SMN2
SCHEMBL842349 0.81 TP53 (0.49) TP53YAP1TEAD4MAPTSMN1; SMN2
SCHEMBL18568173 0.78 TP53 (0.43) TP53YAP1TEAD4MAPTSMN1; SMN2
SCHEMBL10310669 0.78 TP53 (0.43) TP53YAP1TEAD4MAPTSMN1; SMN2
SCHEMBL19974931 0.78 GPR88 (0.40) MAPTSMN1; SMN2KMT2AMEN1GPR88
SCHEMBL842533 0.75 TP53 (0.46) TP53YAP1TEAD4MAPTSMN1; SMN2
SCHEMBL842534 0.75 TP53 (0.46) TP53YAP1TEAD4MAPTSMN1; SMN2

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-2407448-A2 Processes and intermediates for preparing steric compounds VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-18 EP disclosed