SCHEMBL8801812

SCHEMBL8801812

CCc1cc(C(C(=O)O)N2CCCCC2)cc(C)c1N

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
LMNA P02545 3/20 0.46
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
DPP7 Q9UHL4 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
TSHR P16473 2/20 0.34
EHMT2 Q96KQ7 1/20 0.34
SLC6A3 Q01959 2/20 0.33
OPRD1 P41143 1/20 0.33
ADRB2 P07550 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL8801095 0.88 ALDH1A1 (0.41) GAALMNAALDH1A1KMT2AMAPT
SCHEMBL8800989 0.86 ALDH1A1 (0.38) GAALMNAALDH1A1MEN1KMT2A
SCHEMBL8800651 0.76 ALDH1A1 (0.49) GAALMNAALDH1A1HTTTSHR
SCHEMBL8809462 0.75 HTT (0.41) LMNAALDH1A1MEN1KMT2ACHRM1
SCHEMBL8801972 0.71 ALDH1A1 (0.38) ALDH1A1MAPTHTT
SCHEMBL9571800 0.70 ALDH1A1 (0.37) ALDH1A1MAPTHTTNPSR1
SCHEMBL15081899 0.69 GAA (0.70) GAALMNAALDH1A1MEN1KMT2A
SCHEMBL23406351 0.68 HTT (0.46) ALDH1A1MAPTHTTTSHR
SCHEMBL8802404 0.68 HPGD (0.42) GAALMNAALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL15063294 0.68 GAA (0.73) GAALMNAALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0575056-B1 Preparation of polycyclic dyes BASF AG (DE) 1997-09-17 EP disclosed
US-5362888-A Preparation of polycyclic dyes ZENECA LIMITED (GB) 1994-11-08 US disclosed
EP-0575056-A1 Preparation of polycyclic dyes ZENECA LIMITED (GB) 1993-12-22 EP disclosed