SCHEMBL21986254

SCHEMBL21986254

CCC(C)(C)c1ccc(CCC(C)(C)c2ccc(OP(O)O)c(C(C)(C)CCc3ccc(C(C)(C)CC)cc3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 6/20 0.43
NPSR1 Q6W5P4 5/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 5/20 0.37
HTT P42858 3/20 0.37
UBE2N P61088 2/20 0.37
GLA P06280 1/20 0.37
MITF O75030 1/20 0.37
RAB9A P51151 4/20 0.34
RAD52 P43351 2/20 0.34
STAT3 P40763 1/20 0.34
RCE1 Q9Y256 1/20 0.34
APAF1 O14727 1/20 0.34
HSP90AA1 P07900 1/20 0.34
NOD2 Q9HC29 1/20 0.34
NPC1 O15118 3/20 0.32
MCL1 Q07820 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
SCHEMBL31059273 0.85 MAPK1 (0.55) MAPK1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL4091307 0.85 MAPK1 (0.55) MAPK1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL27262206 0.78 MAPK1 (0.47) MAPK1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL4452497 0.78 CNR2 (0.50) CNR1CNR2
Tromethamine SCHEMBL381462 0.77 MAPK1 (0.47) MAPK1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL11265812 0.77 MAPK1 (0.55) MAPK1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL7954066 0.74 MAPK1 (0.52) MAPK1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL27871281 0.74 MAPK1 (0.49) MAPK1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL27958957 0.74 MAPK1 (0.46) MAPK1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL133717 0.73 MAPK1 (0.54) 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
EP-3334780-B1 3-PHENYL-BENZOFURAN-2-ONE DERIVATIVES CONTAINING PHOSPHORUS AS STABILIZERS BASF SE (DE) 2020-06-03 EP disclosed