SCHEMBL1739346

SCHEMBL1739346

COC(=O)C1CCCCC1N(C)Cc1ccc2c(c1)OCCO2

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
SIGMAR1 Q99720 4/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
APOBEC3A P31941 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
LTA4H P09960 1/20 0.39

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
SCHEMBL621791 0.80 MEN1 (0.42) GAAMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL621789 0.80 MEN1 (0.42) GAAMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL20952520 0.70 SMN1; SMN2 (0.54) GAAMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL622080 0.68 KCNH2 (0.57) MEN1KMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL622082 0.68 KCNH2 (0.57) MEN1KMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL21583731 0.68 SMN1; SMN2 (0.62) MEN1KMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL11999940 0.67 KDM1A (0.45) SMN1; SMN2ALDH1A1HPGD
SCHEMBL619732 0.67 SLC6A2 (0.50) KMT2A
SCHEMBL19926744 0.67 SMN1; SMN2 (0.57) GAAMEN1KMT2ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL2798369 0.67 KDM1A (0.44) SMN1; SMN2ALDH1A1HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2389376-A1 NOVEL BICYCLIC ANTIBIOTICS Basilea Pharmaceutica AG (CH) 2011-11-30 EP disclosed
WO-2010084152-A1 NOVEL BICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2010-07-29 WO disclosed