SCHEMBL8543249

SCHEMBL8543249

Nc1cc(CN(CC(=O)O)CC(=O)O)c(O)c(CN(CC(=O)O)CC(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 5/20 0.39
EYA2 O00167 1/20 0.39
APP P05067 1/20 0.39
ACE P12821 1/20 0.39
PRKCI P41743 1/20 0.39
ALOX15 P16050 3/20 0.38
CYP2C19 P33261 3/20 0.38
TSHR P16473 2/20 0.38
KDM4E B2RXH2 2/20 0.38
BLM P54132 2/20 0.38
PMP22 Q01453 2/20 0.38
LMNA P02545 1/20 0.38
CHRM2 P08172 1/20 0.38
ADRA2A P08913 1/20 0.38
DRD1 P21728 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
DRD3 P35462 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
SCHEMBL8832295 0.93 TDP1 (0.48) ALDH1A1TDP1EYA2APPACE
SCHEMBL10809043 0.82 ALDH1A1 (0.46) ALDH1A1TDP1EYA2APPACE
SCHEMBL3929771 0.78 LCK (0.40) ALDH1A1TDP1EYA2APPACE
SCHEMBL14580636 0.78 ALDH1A1 (0.39) ALDH1A1TDP1EYA2APPACE
SCHEMBL8930119 0.78 TDP1 (0.49) ALDH1A1TDP1EYA2APPACE
SCHEMBL1131162 0.77 TDP1 (0.44) ALDH1A1TDP1EYA2APPACE
SCHEMBL18359691 0.77 ALDH1A1 (0.41) ALDH1A1TDP1EYA2APPACE
SCHEMBL8541736 0.75 LMNA (0.46) ALDH1A1TDP1ALOX15CYP2C19TSHR
SCHEMBL3973204 0.75 ALDH1A1 (0.45) ALDH1A1TDP1LMNAMEN1MAPT
SCHEMBL24129407 0.75 PRKCI (0.66) ALDH1A1TDP1PRKCIALOX15CYP2C19

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-0497356-B1 Compositions and method for soft tissue tumors DOW CHEMICAL CO (US) 1998-08-12 EP disclosed
WO-1992013826-A1 COMPOSITIONS AND METHOD FOR SOFT TISSUE TUMORS THE DOW CHEMICAL COMPANY (US) 1992-08-20 WO disclosed