SCHEMBL30420182

SCHEMBL30420182

N#CC(O)Cc1cccc(Oc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
FDFT1 P37268 2/20 0.47
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CETP P11597 2/20 0.44
AKR1C3 P42330 1/20 0.44
FFAR1 O14842 2/20 0.43
PTGES O14684 1/20 0.43
MME P08473 1/20 0.43
ACE P12821 1/20 0.43
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL18240110 0.85 FDFT1 (0.48) FDFT1TSHRHSD17B10CETPAKR1C3
SCHEMBL10871643 0.84 PPARG (0.48) PPARGPPARAFDFT1TSHRHSD17B10
SCHEMBL8417617 0.83 TAAR1 (0.58)
SCHEMBL11034338 0.81 FDFT1 (0.47) PPARGPPARAFDFT1TSHRHSD17B10
SCHEMBL10769343 0.81 PPARG (0.54) PPARGPPARAFDFT1AKR1C3FFAR1
SCHEMBL27637857 0.80 FDFT1 (0.46) PPARGPPARAFDFT1TSHRHSD17B10
SCHEMBL6334251 0.79 TSHR (0.46) TSHR
SCHEMBL196712 0.79 TSHR (0.46) TSHR
SCHEMBL6337448 0.79 TSHR (0.46) TSHR
SCHEMBL27338431 0.79 PTGES (0.52) PPARGPPARAFDFT1TSHRHSD17B10

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
CN-114908007-B Rhodococcus pyridine-philic bacteria capable of degrading pyrethroid insecticide and application thereof 华南农业大学 2023-06-23 CN disclosed