SCHEMBL10654097

SCHEMBL10654097

[CH2]C(C)(C)COCc1ccc(F)c(Oc2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.39
TACR1 P25103 1/20 0.36
RIPK1 Q13546 1/20 0.36
LPAR1 Q92633 3/20 0.35
LPAR5 Q9H1C0 3/20 0.35
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34

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
SCHEMBL9558218 0.89 RIPK1 (0.41) TTRTACR1RIPK1LPAR1LPAR5
SCHEMBL10361908 0.87 TTR (0.42) TTRTACR1RIPK1LPAR1LPAR5
SCHEMBL10837667 0.87 TACR1 (0.42) TTRTACR1RIPK1LPAR1LPAR5
SCHEMBL10346738 0.86 TTR (0.36) TTRTACR1RIPK1LPAR1LPAR5
SCHEMBL10655931 0.86 TTR (0.38) TTRTACR1RIPK1LPAR1LPAR5
SCHEMBL9683220 0.86 TTR (0.38) TTRTACR1RIPK1LPAR1LPAR5
SCHEMBL10439067 0.85 TTR (0.39) TTRTACR1RIPK1LPAR1LPAR5
SCHEMBL9681472 0.85 TTR (0.43) TTRTACR1RIPK1LPAR1LPAR5
SCHEMBL10837117 0.85 NPC1 (0.38) TTRTACR1RIPK1LPAR1LPAR5
SCHEMBL10346789 0.85 TTR (0.40) TTRTACR1LPAR1LPAR5FFAR4

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
EP-0266891-A1 Insecticidal ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-05-11 EP disclosed