SCHEMBL9815153

SCHEMBL9815153

CCCCCCCCc1ccc(-c2ccc(OCCCC[C@@H](C)CC)c(F)c2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.48
SMN1; SMN2 Q16637 6/20 0.48
NPC1 O15118 6/20 0.48
MAPT P10636 3/20 0.48
STAT3 P40763 1/20 0.48
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
CASP3 P42574 2/20 0.47
SENP8 Q96LD8 2/20 0.47
SENP7 Q9BQF6 2/20 0.47
SENP6 Q9GZR1 2/20 0.47
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
MAPK1 P28482 1/20 0.45
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 4/20 0.40

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
SCHEMBL9511976 1.00 RAB9A (0.48) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL10517764 0.96 RAB9A (0.49) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL9327368 0.96 RAB9A (0.49) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL9806812 0.91 RAB9A (0.57) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL9192073 0.91 RAB9A (0.57) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL8046916 0.91 RAB9A (0.57) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL9806794 0.91 RAB9A (0.57) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL9806767 0.91 RAB9A (0.57) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL9806816 0.91 RAB9A (0.57) RAB9ASMN1; SMN2NPC1MAPTSTAT3
SCHEMBL9806785 0.91 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0233706-B1 HALOGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS CONTAINING THEM Chisso Corporation (JP) 1991-09-11 EP disclosed
US-4865763-A LOW TEMPERATURE STABILITY CHISSO CORPORATION (JP) 1989-09-12 US disclosed
US-4765924-A SMECTIC PHASE FORMING INHIBITION CHISSO CORPORATION (JP) 1988-08-23 US disclosed
EP-0233706-A2 Halogen-containing heterocyclic compounds and liquid crystal compositions containing them Chisso Corporation (JP) 1987-08-26 EP disclosed