SCHEMBL9847648

SCHEMBL9847648

COC1(C)CC(C)c2ccc(Oc3ccc(N)cc3)cc2O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
MAPK1 P28482 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 5/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MITF O75030 1/20 0.40
GAA P10253 1/20 0.40
GFER P55789 1/20 0.40
NLRP1 Q9C000 1/20 0.40
NOD2 Q9HC29 1/20 0.40
TDP1 Q9NUW8 2/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
TEAD4 Q15561 1/20 0.34
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL9847608 0.79 MTNR1B (0.39) MAPK1MAPTMEN1KMT2ANPC1
SCHEMBL9847588 0.74 ALDH1A1 (0.44) ALDH1A1MAPK1SMN1; SMN2MAPTMEN1
SCHEMBL9749135 0.74 ALDH1A1 (0.44) ALDH1A1MAPK1SMN1; SMN2MAPTMEN1
SCHEMBL9444144 0.74 ALDH1A1 (0.54) ALDH1A1MAPK1SMN1; SMN2MAPTMEN1
SCHEMBL9749678 0.72 ALDH1A1 (0.44) ALDH1A1MAPK1SMN1; SMN2MAPTMEN1
SCHEMBL9847582 0.70 ALDH1A1 (0.43) ALDH1A1MAPK1SMN1; SMN2MAPTMEN1
SCHEMBL9847552 0.67 ALDH1A1 (0.42) ALDH1A1MAPK1SMN1; SMN2MAPTMEN1
SCHEMBL9847544 0.64 ALDH1A1 (0.42) ALDH1A1MAPK1SMN1; SMN2MAPTMEN1
SCHEMBL9847605 0.64 ALDH1A1 (0.42) ALDH1A1MAPK1
SCHEMBL9749356 0.64 ALDH1A1 (0.48) ALDH1A1MAPK1SMN1; SMN2MAPTMEN1

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