SCHEMBL9847552

SCHEMBL9847552

CCOC1CC(C)c2ccc(Oc3ccc(N)cc3)cc2O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
MAPK1 P28482 2/20 0.42
MAPT P10636 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MITF O75030 1/20 0.39
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39
NLRP1 Q9C000 1/20 0.39
NOD2 Q9HC29 1/20 0.39
TDP1 Q9NUW8 3/20 0.34
TSHR P16473 2/20 0.34
CYP3A4 P08684 1/20 0.34
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
TEAD4 Q15561 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.31
MAOA P21397 2/20 0.31

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
SCHEMBL9847538 0.82
SCHEMBL9847548 0.77 KMT2A (0.40) ALDH1A1MEN1KMT2AGAATDP1
SCHEMBL9847625 0.77 ALDH1A1 (0.43) ALDH1A1MAPK1MAPTSMN1; SMN2MEN1
SCHEMBL9444144 0.73 ALDH1A1 (0.54) ALDH1A1MAPK1MAPTSMN1; SMN2MEN1
SCHEMBL9847659 0.64 ALDH1A1 (0.46) ALDH1A1MAPK1MAPTSMN1; SMN2MEN1
Propane SCHEMBL29024978 0.63 ALDH1A1 (0.78) ALDH1A1MAPK1MAPTSMN1; SMN2MEN1
SCHEMBL1980471 0.62 ALDH1A1 (0.71) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
Ether SCHEMBL28716761 0.61 ALDH1A1 (0.67) ALDH1A1MAPK1MAPTSMN1; SMN2MEN1
Propane SCHEMBL2829815 0.60 ALDH1A1 (0.68) ALDH1A1MAPK1MAPTSMN1; SMN2MEN1
SCHEMBL7294658 0.60 ALDH1A1 (1.00) ALDH1A1MAPK1MAPTSMN1; SMN2MEN1

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
EP-0434074-A2 Process for the production of 1-lower alkoxy-1-lower alkyl-3-substituted phenylurea, and intermediate thereof and process for the production of the intermediate MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-06-26 EP disclosed