SCHEMBL8467683

SCHEMBL8467683

CCCCC(Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(=O)OCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 6/20 0.51
NPSR1 Q6W5P4 6/20 0.51
SMN1; SMN2 Q16637 6/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPT P10636 4/20 0.42
HTT P42858 3/20 0.42
UBE2N P61088 2/20 0.42
GLA P06280 1/20 0.42
RAD52 P43351 2/20 0.41
RAB9A P51151 2/20 0.41
APAF1 O14727 1/20 0.41
HSP90AA1 P07900 1/20 0.41
NOD2 Q9HC29 1/20 0.41
MITF O75030 1/20 0.40
STAT3 P40763 1/20 0.39
RCE1 Q9Y256 1/20 0.39
ALDH2 P05091 2/20 0.38
ATM Q13315 2/20 0.36

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
SCHEMBL8468814 0.91 NPSR1 (0.48) MAPK1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL12588865 0.89 NPSR1 (0.46) MAPK1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL12646434 0.88 MAPK1 (0.50) MAPK1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL8930354 0.88 MAPK1 (0.50) MAPK1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL8086906 0.88 MAPK1 (0.55) MAPK1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL8616165 0.87 MAPK1 (0.49) MAPK1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL6313496 0.87 MAPK1 (0.49) MAPK1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL8410429 0.87 MAPK1 (0.49) MAPK1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL8468433 0.86 NPSR1 (0.40) MAPK1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL8083617 0.84 MAPK1 (0.48) MAPK1NPSR1SMN1; SMN2MEN1KMT2A

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
US-5869735-A Process for the preparation of alkyl aryl ethers containing carboxyl groups BAYER AKTIENGESELLSCHAFT (DE) 1999-02-09 US disclosed