SCHEMBL4967828

SCHEMBL4967828

CCCNN(C)c1ccccc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 2/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 4/20 0.36
CYP3A4 P08684 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
KDM4E B2RXH2 1/20 0.35
SIGMAR1 Q99720 2/20 0.34
PGR P06401 1/20 0.34
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
POLB P06746 1/20 0.33
ESR1 P03372 1/20 0.33
TSHR P16473 1/20 0.33
ACHE P22303 1/20 0.33
NOTUM Q6P988 1/20 0.33

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
SCHEMBL27550559 0.84 CYP3A4 (0.38) ALDH1A1TP53MAPTHTTLMNA
SCHEMBL7974597 0.74 SIGMAR1 (0.41) ALDH1A1TP53MAPTHTTLMNA
SCHEMBL19964500 0.73 ACHE (0.41) ALDH1A1MAPTHTTLMNACYP3A4
SCHEMBL10927689 0.72 MEN1 (0.39) ALDH1A1TP53MAPTHTTSLC6A2
SCHEMBL6024144 0.72 MAPT (0.42) ALDH1A1TP53MAPTHTTCYP3A4
SCHEMBL5421931 0.69 TP53 (0.45) ALDH1A1TP53LMNACYP3A4KDM4E
SCHEMBL7762921 0.69 LMNA (0.39) ALDH1A1TP53MAPTHTTLMNA
SCHEMBL5430919 0.69 LMNA (0.49) ALDH1A1TP53LMNACYP3A4SLC6A2
SCHEMBL23749994 0.68 SIGMAR1 (0.38) ALDH1A1TP53MAPTLMNACYP3A4
SCHEMBL14963062 0.67 RAB9A (0.44) ALDH1A1TP53MAPTLMNACYP3A4

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-1896559-A1 USE OF AN EFFERVESCENT PRODUCT TO CLEAN SOILED DISHES BY HAND WASHING The Procter and Gamble Company (US) 2008-03-12 EP disclosed
WO-2007005207-A1 USE OF AN EFFERVESCENT PRODUCT TO CLEAN SOILED DISHES BY HAND WASHING THE PROCTER & GAMBLE COMPANY (US) 2007-01-11 WO disclosed