SCHEMBL17756759

SCHEMBL17756759

CC1CCCC(C)N1[13CH2]C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.41
ALDH1A1 P00352 3/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
ACE P12821 1/20 0.40
ESR2 Q92731 2/20 0.37
ACHE P22303 1/20 0.37
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL3113944 1.00 RECQL (0.41) RECQLALDH1A1GLAHPGDACE
SCHEMBL13248935 1.00 RECQL (0.41) RECQLALDH1A1GLAHPGDACE
SCHEMBL13069241 1.00 RECQL (0.41) RECQLALDH1A1GLAHPGDACE
Hydrochloric Acid SCHEMBL3113711 0.98 ALDH1A1 (0.40) RECQLALDH1A1GLAHPGDACE
SCHEMBL11537623 0.91 SLC6A9 (0.34) ALDH1A1GLAHPGDACEESR2
SCHEMBL11537621 0.91 SLC6A9 (0.34) ALDH1A1GLAHPGDACEESR2
SCHEMBL11537617 0.91 SLC6A9 (0.34) ALDH1A1GLAHPGDACEESR2
SCHEMBL13248904 0.82 RECQL (0.41) RECQLALDH1A1GLAHPGDACE
SCHEMBL16543717 0.82 RECQL (0.41) RECQLALDH1A1GLAHPGDACE
SCHEMBL31271147 0.81 ALDH1A1 (0.38) RECQLALDH1A1GLAHPGDACE

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
US-20160139140-A1 MASS LABELS ELECTROPHORETICS LIMITED (GB) 2016-05-19 US disclosed