SCHEMBL9138341

SCHEMBL9138341

CCCCON=C(C)c1cc[c]c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.43
PPARA Q07869 12/20 0.41
PPARG P37231 11/20 0.41
CNR2 P34972 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
LMNA P02545 3/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTBP1 P26599 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RAB9A P51151 2/20 0.32
HPGD P15428 1/20 0.32
GAA P10253 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 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
SCHEMBL9141513 0.91 LMNA (0.37) ESR1PPARAPPARGRXRARXRB
SCHEMBL8789927 0.78 LMNA (0.36) PPARAPPARGRXRARXRBRXRG
SCHEMBL8789924 0.78 LMNA (0.36) PPARAPPARGRXRARXRBRXRG
SCHEMBL8062061 0.77 SMN1; SMN2 (0.43) PPARAPPARGRXRARXRBRXRG
SCHEMBL8059588 0.77 LMNA (0.35) PPARAPPARGLMNAMAPK1HTT
SCHEMBL8785183 0.76 NPC1 (0.49) PPARAPPARGLMNAMAPK1HTT
SCHEMBL8785182 0.76 NPC1 (0.49) PPARAPPARGLMNAMAPK1HTT
SCHEMBL8782159 0.76 LMNA (0.34) PPARAPPARGLMNAMAPK1HTT
SCHEMBL15851080 0.75 ESR1 (0.51) ESR1PPARAPPARGCNR2RXRA
SCHEMBL17215865 0.75 ESR1 (0.51) ESR1PPARAPPARGCNR2RXRA

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-5446067-A For treatment of crops, seeds, soils BASF AKTIENGESELLSCHAFT (DE) 1995-08-29 US disclosed