SCHEMBL9847593

SCHEMBL9847593

CC(C)OC1(C)CCc2ccc(Oc3ccc(N)cc3)cc2O1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
MAPK1 P28482 1/20 0.42
PPARA Q07869 12/20 0.37
PPARG P37231 11/20 0.37
PPARD Q03181 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
AKT1 P31749 1/20 0.36
MEN1 O00255 1/20 0.36
MITF O75030 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
GFER P55789 1/20 0.36
KMT2A Q03164 1/20 0.36
NLRP1 Q9C000 1/20 0.36
NOD2 Q9HC29 1/20 0.36
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL9847588 0.86 ALDH1A1 (0.44) ALDH1A1MAPK1PPARAPPARGPPARD
SCHEMBL9847605 0.83 ALDH1A1 (0.42) ALDH1A1MAPK1PPARAPPARGPPARD
SCHEMBL9847532 0.82 PPARA (0.36) PPARAPPARGPPARD
SCHEMBL9749356 0.82 ALDH1A1 (0.48) ALDH1A1MAPK1PPARAPPARGPPARD
SCHEMBL9847544 0.81 ALDH1A1 (0.42) ALDH1A1MAPK1SMN1; SMN2MEN1MITF
SCHEMBL9847586 0.80 PPARA (0.38) MAPK1PPARAPPARGPPARDMEN1
SCHEMBL9847611 0.77 MEN1 (0.40) PPARAPPARGPPARDMEN1KMT2A
SCHEMBL9749678 0.76 ALDH1A1 (0.44) ALDH1A1MAPK1PPARAPPARGSMN1; SMN2
SCHEMBL9847551 0.73 PPARG (0.43) ALDH1A1MAPK1PPARAPPARGPPARD
SCHEMBL24093780 0.70 RXRA (0.47) ALDH1A1MAPK1SMN1; SMN2MEN1MITF

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