SCHEMBL4550104

SCHEMBL4550104

Cc1ccc(Sc2cc(C)c(C)c(C)c2C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
ALDH1A1 P00352 5/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
HPGD P15428 3/20 0.41
ALOX15 P16050 2/20 0.41
MAPK1 P28482 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
GAA P10253 1/20 0.41
HTR1A P08908 3/20 0.38
HTR3A P46098 3/20 0.38
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ICAM1 P05362 2/20 0.37
SELE P16581 2/20 0.37
VCAM1 P19320 2/20 0.37
RHEB Q15382 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HKDC1 Q2TB90 1/20 0.36

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
SCHEMBL28163125 0.93 MAPT (0.37) MAPTALDH1A1L3MBTL1HPGDALOX15
SCHEMBL7059068 0.83 RHEB (0.39) MAPTALDH1A1L3MBTL1HPGDMAPK1
SCHEMBL28163071 0.77 RHEB (0.36) MAPTALDH1A1L3MBTL1HPGDMAPK1
SCHEMBL13915218 0.74 PRNP (0.39) MAPTALDH1A1L3MBTL1HPGDALOX15
SCHEMBL11601099 0.74 MAPT (0.55) MAPTALDH1A1L3MBTL1HPGDALOX15
SCHEMBL14364055 0.72 ALDH1A1 (0.36) MAPTALDH1A1L3MBTL1HPGDALOX15
SCHEMBL12245875 0.71 ACHE (0.57) MAPTALDH1A1L3MBTL1HPGDMAPK1
SCHEMBL83853 0.71 ACHE (0.57) MAPTALDH1A1L3MBTL1HPGDMAPK1
SCHEMBL11121834 0.71 ACHE (0.57) MAPTALDH1A1L3MBTL1HPGDMAPK1
SCHEMBL8377232 0.71 NR1H2 (0.46) MAPTALDH1A1HPGDALOX15MAPK1

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-2632896-B1 ELECTROPHILIC REAGENTS FOR MONOHALOMETHYLATION,THEIR PREPARATION AND THEIR USES HOVIONE INT LTD (CH) 2017-03-15 EP claimed
WO-2012056201-A2 ELECTROPHILIC REAGENTS FOR MONOHALOMETHYLATION,THEIR PREPARATION AND THEIR USES HOVIONE INTER LIMITED (CH) 2012-05-03 WO disclosed