SCHEMBL17339102

SCHEMBL17339102

CCOC(=O)C[n+]1ccccc1CC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.47
ERAP1 Q9NZ08 1/20 0.47
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 3/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
USP2 O75604 1/20 0.41
APOBEC3A P31941 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
TSHR P16473 1/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
NLRP3 Q96P20 1/20 0.37
LMNA P02545 1/20 0.37
PPID Q08752 1/20 0.37

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
Bromide SCHEMBL17339130 0.98 ERAP1 (0.49) KMT2AMEN1ERAP1ALDH1A1KDM4E
Bromide SCHEMBL7401891 0.88 ERAP1 (0.48) KMT2AMEN1ERAP1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL11606548 0.82 KMT2A (0.51) KMT2AMEN1ERAP1ALDH1A1KDM4E
SCHEMBL19700528 0.81 KMT2A (0.49) KMT2AMEN1ERAP1ALDH1A1KDM4E
Bromide SCHEMBL893233 0.79 ERAP1 (0.49) KMT2AMEN1ERAP1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL11422962 0.78 KMT2A (0.48) KMT2AMEN1ERAP1ALDH1A1KDM4E
SCHEMBL17130343 0.77 PKM (0.42) KMT2AMEN1ALDH1A1KDM4ETSHR
SCHEMBL15728078 0.72 PKM (0.43) KMT2AMEN1ALDH1A1KDM4ETSHR
Bromide SCHEMBL9210341 0.72 ERAP1 (0.45) KMT2AMEN1ERAP1ALDH1A1KDM4E
Acetic Acid SCHEMBL30212807 0.71

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-2015188777-A1 CERTAIN PROTEIN KINASE INHIBITORS SHANGHAI FOCHON PHARMACEUTICAL CO LTD (CN) 2015-12-17 WO disclosed