SCHEMBL9255048

SCHEMBL9255048

CCCCC[C@H]1CC[C@H]([C@H]2CC[C@H](C=Cc3ccc(OCc4ccccc4)cc3)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.42
PPARG P37231 2/20 0.42
PPARA Q07869 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GSK3B P49841 3/20 0.41
BACE1 P56817 3/20 0.41
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAOB P27338 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
AR P10275 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
PLG P00747 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37

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
SCHEMBL28007660 0.97 LCK (0.44) LCKPPARGPPARANPC1RAB9A
SCHEMBL28007659 0.97 LCK (0.44) LCKPPARGPPARANPC1RAB9A
SCHEMBL6747889 0.88 ALOX5 (0.44) LCKPPARGPPARANPC1RAB9A
SCHEMBL6747890 0.88 ALOX5 (0.44) LCKPPARGPPARANPC1RAB9A
SCHEMBL6747893 0.88 ALOX5 (0.44) LCKPPARGPPARANPC1RAB9A
SCHEMBL9511763 0.83 MAOB (0.34) PPARANPC1RAB9ASMN1; SMN2MAOB
SCHEMBL9513687 0.82 MAOB (0.33) PPARANPC1RAB9ASMN1; SMN2MAOB
SCHEMBL9061572 0.82 AHR (0.33) NPC1SMN1; SMN2TDP1MAOBABCG2
SCHEMBL9511779 0.82 MAOB (0.33) PPARANPC1RAB9ASMN1; SMN2MAOB
SCHEMBL9515542 0.82 MAOB (0.33) PPARANPC1RAB9ASMN1; SMN2MAOB

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-5389292-A Liquid crystalline media having positive dielctric anisotropy, chemical, heat and radiation resistance, used as electro-optical displaying MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-14 US disclosed