SCHEMBL7086566

SCHEMBL7086566

COC(c1ccccc1)C1CCN(C(=O)O)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.50
PROKR1 Q8TCW9 1/20 0.50
KDM4E B2RXH2 1/20 0.44
IDO1 P14902 3/20 0.44
MGLL Q99685 1/20 0.43
CHRM3 P20309 2/20 0.43
ALDH1A1 P00352 2/20 0.42
NPY2R P49146 1/20 0.42
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
RAB9A P51151 1/20 0.41
TSHR P16473 1/20 0.40

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
SCHEMBL23212057 0.87 CACNA1B (0.43) FPR2PROKR1ALDH1A1LMNA
SCHEMBL15537475 0.87 SLC6A4 (0.52) FPR2PROKR1MGLL
SCHEMBL6375289 0.84 GPR119 (0.56) KDM4EALDH1A1MEN1KMT2ARAB9A
SCHEMBL19144912 0.80 IDO1 (0.64) FPR2PROKR1IDO1
SCHEMBL7082872 0.78 USP2 (0.56) FPR2PROKR1KDM4EALDH1A1MEN1
SCHEMBL4566750 0.78 HTR2A (0.55) KDM4ECHRM3ALDH1A1TSHR
SCHEMBL14813737 0.77 IDO1 (0.50) KDM4EIDO1CHRM3MEN1LMNA
SCHEMBL450555 0.76 TDP1 (0.46) KDM4ECHRM3ALDH1A1TSHR
SCHEMBL20601065 0.76 TDP1 (0.46) KDM4ECHRM3ALDH1A1TSHR
SCHEMBL29993718 0.76 KDM4E (0.44) KDM4EMGLLCHRM3ALDH1A1LMNA

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-2003068807-A2 ECHINOCANDIN CYCLIC PEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-08-21 WO disclosed