SCHEMBL19866056

SCHEMBL19866056

CCC(C)CCCCC(C)CCC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.41
BLM P54132 2/20 0.39
KMT2A Q03164 2/20 0.39
ALOX15 P16050 1/20 0.39
PMP22 Q01453 1/20 0.39
MAPT P10636 2/20 0.38
CA1 P00915 2/20 0.36
CA2 P00918 1/20 0.36
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
LMNA P02545 1/20 0.36
SOAT1 P35610 2/20 0.34
MEN1 O00255 1/20 0.34
FAAH O00519 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 2/20 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
SCHEMBL19554549 0.91 SOAT1 (0.41) ACE2BLMKMT2AALOX15PMP22
SCHEMBL276695 0.91
SCHEMBL19985649 0.91
SCHEMBL7383174 0.89 SOAT1 (0.44) ACE2KMT2ACA1CA2SOAT1
SCHEMBL5506412 0.89 SOAT1 (0.44) ACE2KMT2ACA1CA2SOAT1
SCHEMBL23279355 0.89 SOAT1 (0.44) ACE2KMT2ACA1CA2SOAT1
SCHEMBL19577868 0.89 SOAT1 (0.44) ACE2KMT2ACA1CA2SOAT1
SCHEMBL17335572 0.89 CA1 (0.40) ACE2BLMKMT2AALOX15PMP22
SCHEMBL16539159 0.89 CA1 (0.40) ACE2BLMKMT2AALOX15PMP22
SCHEMBL11117824 0.86 ACE2 (0.58) ACE2KMT2AMAPTCA1SOAT1

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-2855508-B1 CYCLOSPORIN A ANALOGS ALLERGAN INC (US) 2018-02-14 EP disclosed