SCHEMBL9192073

SCHEMBL9192073

CCCCCCCCCOc1ccc(-c2ccc(CCCCCCC)cn2)cc1F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.57
SMN1; SMN2 Q16637 7/20 0.57
NPC1 O15118 6/20 0.57
MAPT P10636 4/20 0.57
STAT3 P40763 1/20 0.57
ATM Q13315 1/20 0.57
L3MBTL1 Q9Y468 3/20 0.56
CASP3 P42574 2/20 0.56
SENP8 Q96LD8 2/20 0.56
SENP7 Q9BQF6 2/20 0.56
SENP6 Q9GZR1 2/20 0.56
NFKB1 P19838 2/20 0.53
NFKB2 Q00653 2/20 0.53
RELA Q04206 2/20 0.53
MAPK1 P28482 1/20 0.53
HSD17B10 Q99714 2/20 0.52
TP53 P04637 1/20 0.52
PKM P14618 1/20 0.52
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 5/20 0.46

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
SCHEMBL9806812 1.00 RAB9A (0.57) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL8046916 1.00 RAB9A (0.57) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL9806834 1.00 RAB9A (0.57) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL9193455 1.00 RAB9A (0.57) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL9806767 1.00 RAB9A (0.57) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL9806785 1.00 RAB9A (0.57) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL9806794 1.00 RAB9A (0.57) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL9806796 1.00 RAB9A (0.57) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL9806816 1.00 RAB9A (0.57) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL9806789 1.00 RAB9A (0.57) RAB9ASMN1; SMN2NPC1MAPTSTAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0399298-B1 Liquid crystal medium with a smectic C-phase HOECHST AG (DE) 1995-11-15 EP disclosed
EP-0244939-B1 HALOGEN-CONTAINING PYRIDINE COMPOUND AND LIQUID CRYSTAL COMPOSITION Chisso Corporation (JP) 1991-04-24 EP disclosed
EP-0399298-A2 Liquid crystal medium with a smectic C-phase HOECHST AKTIENGESELLSCHAFT (DE) 1990-11-28 EP disclosed
US-4781857-A SWITCHES, FERROELECTRICITY CHISSO CORPORATION (JP) 1988-11-01 US disclosed
EP-0244939-A1 Halogen-containing pyridine compound and liquid crystal composition Chisso Corporation (JP) 1987-11-11 EP disclosed