SCHEMBL11025883

SCHEMBL11025883

C=CCOC(=O)Oc1cc(Cc2ccc(N)c(OC(=O)O)c2)ccc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
CDC25B P30305 1/20 0.40
CASP6 P55212 1/20 0.40
RCE1 Q9Y256 1/20 0.40
TSHR P16473 3/20 0.39
HSD17B10 Q99714 3/20 0.39
GAA P10253 4/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
ALOX15 P16050 1/20 0.37
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
CYP3A4 P08684 3/20 0.34
CFD P00746 1/20 0.33
PTGS1 P23219 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 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
Hydrochloric Acid SCHEMBL11024747 0.99 ALDH1A1 (0.40) ALDH1A1CDC25BCASP6RCE1TSHR
SCHEMBL11026186 0.95 ALDH1A1 (0.45) ALDH1A1CDC25BCASP6RCE1TSHR
SCHEMBL4650355 0.83 ALDH1A1 (0.56) ALDH1A1CDC25BCASP6RCE1TSHR
SCHEMBL10940102 0.73 ALDH1A1 (0.61) ALDH1A1CDC25BCASP6RCE1TSHR
SCHEMBL21540073 0.73 ALDH1A1 (0.55) ALDH1A1CDC25BCASP6RCE1HSD17B10
SCHEMBL10955418 0.72 ALDH1A1 (0.63) ALDH1A1CDC25BCASP6RCE1TSHR
SCHEMBL6151946 0.71 ELANE (0.46) ALDH1A1TSHRHSD17B10KDM4EMAPT
SCHEMBL10951389 0.71 ALDH1A1 (0.65) ALDH1A1CDC25BCASP6RCE1TSHR
Hydrochloric Acid SCHEMBL10950384 0.70 ALDH1A1 (0.63) ALDH1A1CDC25BCASP6RCE1TSHR
SCHEMBL28222134 0.69 CYP3A4 (0.43) ALDH1A1TSHRHSD17B10KDM4EMEN1

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-0060329-B1 PROCESS FOR THE PREPARATION OF ORIENTATION LAYERS FOR LIQUID-CRYSTAL DISPLAYS, AND DISPLAYS CONTAINING THESE ORIENTATION LAYERS SIEMENS AKTIENGESELLSCHAFT (DE) 1985-06-05 EP disclosed
EP-0060329-A1 Process for the preparation of orientation layers for liquid-crystal displays, and displays containing these orientation layers SIEMENS AKTIENGESELLSCHAFT (DE) 1982-09-22 EP disclosed