SCHEMBL6866513

SCHEMBL6866513

CC(C)CC1C(C)(C)[C@]1(Cc1cccc(Oc2ccccc2)c1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.45
FFAR1 O14842 5/20 0.42
TDP1 Q9NUW8 2/20 0.42
LMNA P02545 1/20 0.42
ADRA2A P08913 1/20 0.42
CNR1 P21554 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PTGS1 P23219 1/20 0.41
MME P08473 1/20 0.40
ACE P12821 1/20 0.40
CPA1 P15085 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39

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
SCHEMBL5854336 0.83 TDP1 (0.43) PTGESFFAR1TDP1LMNAADRA2A
SCHEMBL11007711 0.83 CCR8 (0.42) PTGESFFAR1TDP1LMNAADRA2A
SCHEMBL28339751 0.81 TDP1 (0.45) PTGESFFAR1TDP1LMNAADRA2A
SCHEMBL10829209 0.79 TDP1 (0.46) PTGESFFAR1TDP1LMNAADRA2A
SCHEMBL4353481 0.77 PTGES (0.41) PTGESFFAR1TDP1LMNAADRA2A
SCHEMBL23824720 0.77 TDP1 (0.54) PTGESFFAR1TDP1LMNAADRA2A
SCHEMBL5043710 0.77 TDP1 (0.54) PTGESFFAR1TDP1LMNAADRA2A
SCHEMBL8856826 0.77 TDP1 (0.54) PTGESFFAR1TDP1LMNAADRA2A
SCHEMBL9020889 0.77 TDP1 (0.54) PTGESFFAR1TDP1LMNAADRA2A
SCHEMBL8210825 0.77 TDP1 (0.54) PTGESFFAR1TDP1LMNAADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6810371-B1 Method of simulating indoor behavior of pesticidal compound SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2004-10-26 US disclosed
EP-0882397-A1 METHOD OF SIMULATING INDOOR BEHAVIOR OF ACTIVATED COMPOUND AGAINST HARMFUL ORGANISM SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1998-12-09 EP disclosed