SCHEMBL10833643

SCHEMBL10833643

CCCc1ccc(-c2ccc[c]c2C(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.33
GRIA4 P48058 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
ALOX5 P09917 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
GFER P55789 1/20 0.32
MAOB P27338 2/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
MCL1 Q07820 1/20 0.31
PPARG P37231 1/20 0.31

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
SCHEMBL4905489 0.78 MAPT (0.39) NISCHNPC1MAPTRAB9A
SCHEMBL2160199 0.78 CDC25A (0.38) MAPT
SCHEMBL8212159 0.77 PTPRC (0.35) NPC1MAPTRAB9AMAOB
SCHEMBL11084623 0.76 PPARA (0.33)
SCHEMBL8088777 0.75 ALOX5 (0.36) NISCHLPLLIPGALOX5NPC1
SCHEMBL8029291 0.73 MAOB (0.47) NISCHLPLLIPGALOX5NPC1
SCHEMBL7276230 0.73 ADRA2A (0.31)
SCHEMBL17646448 0.71 PPARG (0.34) NPC1MAPTRAB9APPARG
SCHEMBL3915759 0.71
SCHEMBL29993202 0.70 HSD11B1 (0.47) SIGMAR1LPLLIPGNPC1MAPT

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-4594095-A Fungicide, bactericide, plant growth regulator SCHERING AKTIENGESELLSCHAFT (DE) 1986-06-10 US disclosed