SCHEMBL7942235

SCHEMBL7942235

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 10/20 0.40
MAPK1 P28482 6/20 0.39
NPSR1 Q6W5P4 5/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 4/20 0.36
HTT P42858 3/20 0.36
UBE2N P61088 2/20 0.36
GLA P06280 1/20 0.36
RAB9A P51151 2/20 0.36
RAD52 P43351 2/20 0.36
APAF1 O14727 1/20 0.36
HSP90AA1 P07900 1/20 0.36
NOD2 Q9HC29 1/20 0.36
AR P10275 5/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
CASP3 P42574 1/20 0.35

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
SCHEMBL7954069 0.87 MAPK1 (0.50) VDRMAPK1NPSR1SMN1; SMN2MEN1
SCHEMBL7942234 0.85 VDR (0.41) VDRMAPK1NPSR1SMN1; SMN2MEN1
SCHEMBL7942231 0.81 VDR (0.40) VDRMAPK1NPSR1SMN1; SMN2MEN1
SCHEMBL7952166 0.78 NPC1 (0.47) MAPTRAB9ANPC1
SCHEMBL11265812 0.77 MAPK1 (0.55) VDRMAPK1NPSR1SMN1; SMN2MEN1
SCHEMBL7950329 0.76 TP53 (0.38) NPSR1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8579692 0.74 VDR (0.44) VDRMAPK1NPSR1SMN1; SMN2MEN1
SCHEMBL8394879 0.72 MAPK1 (0.49) MAPK1NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL7954066 0.72 MAPK1 (0.52) VDRMAPK1NPSR1SMN1; SMN2MEN1
SCHEMBL27871281 0.71 MAPK1 (0.49) 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-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