SCHEMBL6513417

SCHEMBL6513417

O=C(O)[C@]1(F)CCC[C@H](O)C1

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.32
TSHR P16473 2/20 0.31
GRM2 Q14416 2/20 0.31
GRM3 Q14832 2/20 0.31
GRM4 Q14833 2/20 0.31
ALOX15 P16050 1/20 0.31
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GRM8 O00222 1/20 0.31
GRM6 O15303 1/20 0.31
LMNA P02545 1/20 0.31
GRM5 P41594 1/20 0.31
MTOR P42345 1/20 0.31
GRM1 Q13255 1/20 0.31
PLCB1 Q9NQ66 1/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HRH1 P35367 1/20 0.30
ARG1 P05089 1/20 0.30

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
SCHEMBL6516273 1.00 CYP1A2 (0.32) CYP1A2TSHRGRM2GRM3GRM4
SCHEMBL21097595 0.78 CYP1A2 (0.50) CYP1A2TDP1
SCHEMBL25864614 0.77 NPSR1 (0.35)
SCHEMBL25865875 0.77
SCHEMBL24868160 0.77
SCHEMBL23906050 0.77
SCHEMBL22516353 0.73 F10 (0.36) CYP1A2TSHRTDP1LMNAHTR2A
SCHEMBL29411801 0.73 PIK3CD (0.31)
SCHEMBL22496058 0.73 F10 (0.36) CYP1A2TSHRTDP1LMNAHTR2A
SCHEMBL31157615 0.73 F10 (0.36) CYP1A2TSHRTDP1LMNAHTR2A

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-20050272132-A1 Production of polyketides and other natural products BIOTICA TECHNOLOGY LIMITED (GB) 2005-12-08 US disclosed