SCHEMBL3150858

SCHEMBL3150858

O=C(O)O[C@H]1CC[C@@]2(CC1)CN(c1ccc3c(c1)OCCO3)C(=O)O2

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 5/20 0.46
KMT2A Q03164 2/20 0.45
GRK2 P25098 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 2/20 0.38
LMNA P02545 1/20 0.38
KCNH2 Q12809 2/20 0.38
NPY5R Q15761 2/20 0.38
ADRA1A P35348 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL3139938 1.00 SSTR5 (0.46) SSTR5KMT2AGRK2CTDSP1L3MBTL1
SCHEMBL2250087 0.86 KMT2A (0.56) SSTR5KMT2AGRK2CTDSP1L3MBTL1
SCHEMBL2250089 0.86 KMT2A (0.56) SSTR5KMT2AGRK2CTDSP1L3MBTL1
SCHEMBL3155412 0.86 KMT2A (0.56) SSTR5KMT2AGRK2CTDSP1L3MBTL1
SCHEMBL3155227 0.81 SSTR5 (0.46) SSTR5KMT2AGRK2CTDSP1L3MBTL1
SCHEMBL3155229 0.81 SSTR5 (0.46) SSTR5KMT2AGRK2CTDSP1L3MBTL1
SCHEMBL2255261 0.80 ALDH1A1 (0.47) SSTR5KMT2AGRK2CTDSP1L3MBTL1
SCHEMBL2255259 0.80 ALDH1A1 (0.47) SSTR5KMT2AGRK2CTDSP1L3MBTL1
SCHEMBL2254545 0.77 SSTR5 (0.44) SSTR5KMT2AGRK2CTDSP1POLB
SCHEMBL2255568 0.73 SSTR5 (0.49) SSTR5KMT2AALDH1A1

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-2066678-B1 SPIRO ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-02-10 EP claimed