SCHEMBL14435408

SCHEMBL14435408

CCC(c1ccco1)N1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
GAA P10253 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GLA P06280 1/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 4/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.46
LMNA P02545 1/20 0.46
RCE1 Q9Y256 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL12513636 0.86 ALDH1A1 (0.47) ALDH1A1GAAMEN1KMT2AGLA
SCHEMBL12437163 0.81 ALDH1A1 (0.46) ALDH1A1GAAMEN1KMT2AGLA
SCHEMBL9367036 0.77 TSHR (0.64) ALDH1A1GAAMEN1KMT2AGLA
SCHEMBL40511 0.76 ALDH1A1 (0.44) ALDH1A1GAAMEN1KMT2AGLA
SCHEMBL2092097 0.76 ALDH1A1 (0.66) ALDH1A1GAAMEN1KMT2AGLA
Hydrochloric Acid SCHEMBL43284 0.74 ALDH1A1 (0.43) ALDH1A1GAAMEN1KMT2AGLA
SCHEMBL30475628 0.74 KDM4E (0.42) ALDH1A1GAAMEN1KMT2AGLA
SCHEMBL1760870 0.73 ATM (0.52) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL2092093 0.73 ALDH1A1 (0.51) ALDH1A1GAAMEN1KMT2AGLA
SCHEMBL1964502 0.72 CYP1A2 (0.62) ALDH1A1GAATSHRLMNA

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-2007098086-A2 HYDROXYPIPERIDINE DERIVATIVES AND USES THEREOF AVALON PHARMACEUTICALS (US) 2007-08-30 WO disclosed