SCHEMBL10578237

SCHEMBL10578237

CCCCCCC[C@H]1CC[C@H](CCc2ncc([C@H]3CC[C@H](CCCCC)CC3)cn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
GAA P10253 3/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
SPHK1 Q9NYA1 11/20 0.39
HTT P42858 1/20 0.36
CYP2C9 P11712 2/20 0.36
MAPK1 P28482 2/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SPHK2 Q9NRA0 7/20 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
SCHEMBL10578242 1.00 MAPT (0.41) MAPTGAAMEN1KMT2ASPHK1
SCHEMBL10579617 0.98 MEN1 (0.42) MAPTGAAMEN1KMT2ASPHK1
SCHEMBL10579608 0.98 MEN1 (0.42) MAPTGAAMEN1KMT2ASPHK1
SCHEMBL10583233 0.97 MAPT (0.40) MAPTGAAMEN1KMT2ASPHK1
SCHEMBL10583238 0.97 MAPT (0.40) MAPTGAAMEN1KMT2ASPHK1
SCHEMBL10583992 0.97 MEN1 (0.41) MAPTGAAMEN1KMT2ASPHK1
SCHEMBL10583962 0.97 MEN1 (0.41) MAPTGAAMEN1KMT2ASPHK1
SCHEMBL10583484 0.96 MAPT (0.39) MAPTGAAMEN1KMT2ASPHK1
SCHEMBL10582529 0.96 MAPT (0.39) MAPTGAAMEN1KMT2ASPHK1
SCHEMBL10582519 0.95 CYP2C9 (0.40) MAPTGAAMEN1KMT2ASPHK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4882082-A PYRIMIDINE DERIVATIVE LIQUID CRYSTALS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-11-21 US disclosed
US-4752414-A LIQUID CRYSTAL PHASES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-06-21 US disclosed