SCHEMBL9611954

SCHEMBL9611954

COC(=O)[C@@H]1CCN2CCCCC(=O)N12

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.37
FKBP1A P62942 4/20 0.36
LTA4H P09960 2/20 0.34
MMP2 P08253 1/20 0.34
ANPEP P15144 1/20 0.34
POLB P06746 1/20 0.34
CASP3 P42574 1/20 0.34
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.33
HIF1A Q16665 1/20 0.33
OPRK1 P41145 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL9609004 0.80 TSHR (0.35)
SCHEMBL13259969 0.78 ACE (0.36) BRD4FKBP1ALTA4HMMP2ANPEP
SCHEMBL13260166 0.77 LTA4H (0.36) FKBP1ALTA4HMMP2ANPEPPOLB
SCHEMBL3731407 0.77 LTA4H (0.36) FKBP1ALTA4HMMP2ANPEPPOLB
SCHEMBL8277961 0.74 ACE (0.44) KMT2ASMN1; SMN2
SCHEMBL10565798 0.74 POLB (0.38) FKBP1ALTA4HMMP2ANPEPPOLB
SCHEMBL10564754 0.68 POLB (0.41) BRD4FKBP1ALTA4HMMP2ANPEP
SCHEMBL25867562 0.67 ALDH1A1 (0.47) FKBP1AKMT2ASMN1; SMN2
SCHEMBL10671518 0.66 FKBP1A (0.39) FKBP1ALTA4HMMP2ANPEPPOLB
SCHEMBL10201316 0.66 FKBP1A (0.41) BRD4FKBP1ALTA4HMMP2ANPEP

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-2457895-A1 Tetrapeptide analogs Idun Pharmaceuticals, Inc. (US) 2012-05-30 EP disclosed