SCHEMBL9679494

SCHEMBL9679494

COCCN(CCOC)c1ccc(C(=O)C(C)(C)N2CCOCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
MAPK1 P28482 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
TSHR P16473 1/20 0.54
HRH3 Q9Y5N1 1/20 0.47
KMT2A Q03164 1/20 0.40
MAPT P10636 4/20 0.40
KDM4E B2RXH2 3/20 0.40
MLYCD O95822 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
TP53 P04637 1/20 0.37
LMNA P02545 2/20 0.37
PKM P14618 1/20 0.36
NAMPT P43490 1/20 0.36
HIF1A Q16665 1/20 0.36
EPAS1 Q99814 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
SCHEMBL8900808 0.85 ALDH1A1 (0.39) ALDH1A1MAPK1SMN1; SMN2TSHRHRH3
SCHEMBL9679472 0.83 ALDH1A1 (0.60) ALDH1A1MAPK1SMN1; SMN2TSHRHRH3
SCHEMBL10458498 0.81 ALDH1A1 (0.50) ALDH1A1MAPK1SMN1; SMN2TSHRHRH3
SCHEMBL13342971 0.80 ALDH1A1 (0.36) ALDH1A1MAPK1SMN1; SMN2TSHRHRH3
SCHEMBL9679558 0.79 SMN1; SMN2 (0.65) ALDH1A1MAPK1SMN1; SMN2TSHRHRH3
SCHEMBL9679447 0.79 SMN1; SMN2 (0.65) ALDH1A1MAPK1SMN1; SMN2TSHRHRH3
SCHEMBL9680431 0.79 ALDH1A1 (0.58) ALDH1A1MAPK1SMN1; SMN2TSHRHRH3
SCHEMBL3677741 0.78 ALDH1A1 (0.60) ALDH1A1MAPK1SMN1; SMN2TSHRHRH3
SCHEMBL18883182 0.77 ALDH1A1 (0.63) ALDH1A1MAPK1SMN1; SMN2TSHRHRH3
SCHEMBL10456895 0.77 HRH3 (0.68) ALDH1A1MAPK1SMN1; SMN2TSHRHRH3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5145885-A Morpholine compound, binders CIBA-GEIGY CORPORATION (US) 1992-09-08 US disclosed
US-4992547-A Aminoaryl ketone photoinitiators CIBA-GEIGY CORPORATION (US) 1991-02-12 US disclosed
US-4960746-A A-HYDROXY-OR A-AMINO-ACETOPHENONES AND A TITANOCENE COMPOUND SUBSTITUTED BY FLUORINE CIBA-GEIGY CORPORATION (US) 1990-10-02 US disclosed