SCHEMBL7942234

SCHEMBL7942234

CCC(C)(C)c1ccc(OP(O)F)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 10/20 0.41
MAPK1 P28482 5/20 0.41
NPSR1 Q6W5P4 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 4/20 0.38
HTT P42858 2/20 0.38
UBE2N P61088 2/20 0.38
GLA P06280 1/20 0.38
RAB9A P51151 3/20 0.37
APAF1 O14727 1/20 0.37
HSP90AA1 P07900 1/20 0.37
RAD52 P43351 1/20 0.37
NOD2 Q9HC29 1/20 0.37
AR P10275 5/20 0.36
NPC1 O15118 2/20 0.36
LMNA P02545 1/20 0.36
CASP3 P42574 1/20 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
SCHEMBL7942231 0.87 VDR (0.40) VDRMAPK1NPSR1SMN1; SMN2MEN1
SCHEMBL7954066 0.86 MAPK1 (0.52) VDRMAPK1NPSR1SMN1; SMN2MEN1
SCHEMBL7942235 0.85 VDR (0.40) VDRMAPK1NPSR1SMN1; SMN2MEN1
SCHEMBL9355926 0.84 MAPK1 (0.39) VDRMAPK1NPSR1SMN1; SMN2MEN1
SCHEMBL7952163 0.77 NPC1 (0.50) MAPTRAB9ANPC1
SCHEMBL8579692 0.76 VDR (0.44) VDRMAPK1NPSR1SMN1; SMN2MEN1
SCHEMBL7950327 0.74 TP53 (0.40) NPSR1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL11265812 0.73 MAPK1 (0.55) VDRMAPK1NPSR1SMN1; SMN2MEN1
SCHEMBL7954064 0.73 MAPK1 (0.51) VDRMAPK1NPSR1SMN1; SMN2MEN1
SCHEMBL4091307 0.73 MAPK1 (0.55) VDRMAPK1NPSR1SMN1; SMN2MEN1

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-6231804-B1 USED FOR HOLLOW CONTAINERS, A FILM, A SHEET, A PIPE, FIBER AND MOLDING;A BLEND OF HIGH MOLECULAR WEIGHT POLYETHYLENE COPOLYMER,AN OLEFIN HOMO OR COPLYMER CHISSO CORPORATION (JP) 2001-05-15 US disclosed