SCHEMBL11215765

SCHEMBL11215765

CCOC(=O)OCCN(CCCl)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.51
ERBB2 P04626 3/20 0.51
SMN1; SMN2 Q16637 5/20 0.45
LMNA P02545 4/20 0.45
ALDH1A1 P00352 5/20 0.40
HIF1A Q16665 3/20 0.40
TSHR P16473 2/20 0.40
MAPT P10636 2/20 0.40
NFKB1 P19838 2/20 0.40
THPO P40225 2/20 0.40
PMP22 Q01453 2/20 0.40
GMNN O75496 1/20 0.40
CYP2D6 P10635 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
SLCO1B3 Q9NPD5 1/20 0.40
CYP3A4 P08684 3/20 0.40
KMT2A Q03164 3/20 0.40
ALOX15 P16050 2/20 0.40

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
SCHEMBL10989167 0.93 SMN1; SMN2 (0.49) SMN1; SMN2LMNAALDH1A1TSHRMAPT
SCHEMBL11207897 0.87 SMN1; SMN2 (0.47) SMN1; SMN2LMNAALDH1A1TSHRMAPT
SCHEMBL11670270 0.83 EGFR (0.48) EGFRERBB2SMN1; SMN2LMNAALDH1A1
SCHEMBL10768799 0.79 MTNR1A (0.44) EGFRERBB2SMN1; SMN2LMNAALDH1A1
SCHEMBL10994130 0.78 ALDH1A1 (0.45) SMN1; SMN2LMNAALDH1A1MAPTKMT2A
Acetic Acid SCHEMBL20565475 0.78 EGFR (0.66) EGFRERBB2SMN1; SMN2LMNAALDH1A1
SCHEMBL11215763 0.76 SMN1; SMN2 (0.43) SMN1; SMN2LMNAALDH1A1MAPTCYP2D6
SCHEMBL10119047 0.76 TDP1 (0.46) EGFRERBB2SMN1; SMN2LMNAALDH1A1
SCHEMBL22307534 0.75 SMN1; SMN2 (0.46) EGFRERBB2SMN1; SMN2LMNAALDH1A1
SCHEMBL3395917 0.75 RAD52 (0.49) EGFRERBB2SMN1; SMN2LMNAALDH1A1

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-4313872-A MONDAZO AND DISAZO DYES CASSELLA AKTIENGESELLSCHAFT (DE) 1982-02-02 US disclosed