SCHEMBL9847543

SCHEMBL9847543

CCOC1(C)CC(C)(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 6/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MITF O75030 1/20 0.36
GAA P10253 1/20 0.36
GFER P55789 1/20 0.36
NLRP1 Q9C000 1/20 0.36
NOD2 Q9HC29 1/20 0.36
TDP1 Q9NUW8 3/20 0.34
CYP3A4 P08684 2/20 0.34
TSHR P16473 2/20 0.34
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
TEAD4 Q15561 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 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
SCHEMBL9847533 0.91 ALDH1A1 (0.40) ALDH1A1MAPK1MAPTSMN1; SMN2MEN1
SCHEMBL9749135 0.86 ALDH1A1 (0.44) ALDH1A1MAPK1MAPTSMN1; SMN2MEN1
SCHEMBL9847544 0.83 ALDH1A1 (0.42) ALDH1A1MAPK1MAPTSMN1; SMN2MEN1
SCHEMBL9847530 0.83 CYP3A4 (0.33) CYP3A4RXRARXRBRXRG
SCHEMBL9847605 0.81 ALDH1A1 (0.42) ALDH1A1MAPK1
SCHEMBL9749130 0.80 ALDH1A1 (0.46) ALDH1A1MAPK1MAPTSMN1; SMN2MEN1
SCHEMBL9847637 0.80 MTNR1B (0.38) ALDH1A1MAPK1MAPTSMN1; SMN2MEN1
SCHEMBL9358625 0.78 KDM4E (0.39) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL9847576 0.77 MEN1 (0.40) ALDH1A1SMN1; SMN2MEN1KMT2AGAA
SCHEMBL9847603 0.74 RXRA (0.31) RXRARXRBRXRG

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