SCHEMBL28784697

SCHEMBL28784697

OCCNNc1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
ALDH1A1 P00352 2/20 0.50
GAA P10253 2/20 0.50
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
LMNA P02545 3/20 0.47
HTT P42858 3/20 0.47
CYP3A4 P08684 2/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CISD1 Q9NZ45 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
IDO1 P14902 1/20 0.42
GBA1 P04062 1/20 0.42
KDR P35968 2/20 0.42
HTR3E A5X5Y0 1/20 0.41

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
SCHEMBL2470288 0.81 KDR (0.52) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL30067741 0.81 KDR (0.52) MAPTALDH1A1GAAMEN1KMT2A
Hydrochloric Acid SCHEMBL4802309 0.79 KDR (0.51) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL8795345 0.77 MAPT (0.61) MAPTALDH1A1GAAMEN1KMT2A
Trimethylammonium SCHEMBL27581723 0.76 MAPT (0.45) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL9284400 0.76 ALDH1A1 (0.50) MAPTALDH1A1GAALMNACYP3A4
SCHEMBL8858556 0.75 MAPT (0.53) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL11111478 0.74 KDR (0.58) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL12931831 0.73 MEN1 (0.69) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL19307314 0.73 CA12 (0.35) MAPTALDH1A1GAAKMT2ALMNA

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
CN-100581528-C Process for colouring keratin fibres comprising a step of treating the scalp with a particular sorbitan ester OREAL 2010-01-20 CN disclosed