SCHEMBL8355480

SCHEMBL8355480

C=C(C)CC1CCN(C(=O)OCc2ccccc2)C1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SIGMAR1 Q99720 1/20 0.47
AGTR2 P50052 1/20 0.47

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
SCHEMBL8281753 1.00 ELANE (0.49) ELANENPC1RAB9ASMN1; SMN2SIGMAR1
SCHEMBL8284648 0.90 FKBP1A (0.48) ELANENPC1RAB9ASMN1; SMN2SIGMAR1
SCHEMBL16316575 0.85 SMN1; SMN2 (0.53) ELANENPC1RAB9ASMN1; SMN2AGTR2
SCHEMBL8283586 0.81 MEN1 (0.44) ELANENPC1RAB9ASMN1; SMN2SIGMAR1
SCHEMBL5740609 0.80 SMN1; SMN2 (0.56) NPC1RAB9ASMN1; SMN2AGTR2
SCHEMBL29302842 0.80 SMN1; SMN2 (0.56) NPC1RAB9ASMN1; SMN2AGTR2
SCHEMBL29302825 0.80 SMN1; SMN2 (0.56) NPC1RAB9ASMN1; SMN2AGTR2
SCHEMBL820518 0.80 SMN1; SMN2 (0.58) ELANENPC1RAB9ASMN1; SMN2AGTR2
SCHEMBL818735 0.80 SMN1; SMN2 (0.58) ELANENPC1RAB9ASMN1; SMN2AGTR2
SCHEMBL21874593 0.80 SMN1; SMN2 (0.58) ELANENPC1RAB9ASMN1; SMN2AGTR2

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
WO-2003062265-A2 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2003-07-31 WO disclosed