SCHEMBL18241048

SCHEMBL18241048

Cc1ccc(C)c(OCc2ccccc2C(C)(O)C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ TSHR P16473 2/20 0.51
▸ PPARA Q07869 2/20 0.51
▸ TTR P02766 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2C8 P10632 1/20 0.51
▸ CHRM1 P11229 1/20 0.51
▸ ADRA1A P35348 1/20 0.51
▸ PPARG P37231 1/20 0.51
▸ HTR2B P41595 1/20 0.51
▸ SLCO1B3 Q9NPD5 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ CISD1 Q9NZ45 1/20 0.51
▸ SLCO1B1 Q9Y6L6 1/20 0.51
▸ PTGDR2 Q9Y5Y4 1/20 0.46
▸ FFAR4 Q5NUL3 2/20 0.45
▸ FFAR1 O14842 1/20 0.45
▸ MRGPRX4 Q96LA9 1/20 0.43
▸ LMNA P02545 1/20 0.42

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
SCHEMBL17328307 0.87 RXRA (0.49) SMN1; SMN2PTGDR2FFAR4FFAR1ALDH1A1
SCHEMBL8195105 0.86 CYP2C9 (0.50) CYP2C9SMN1; SMN2TSHRPPARATTR
SCHEMBL27434536 0.85 CYP2C9 (0.52) CYP2C9SMN1; SMN2TSHRPPARATTR
SCHEMBL28084205 0.83 CYP2C9 (0.47) CYP2C9SMN1; SMN2TSHRPPARATTR
SCHEMBL12894351 0.83 SMN1; SMN2 (0.46) CYP2C9SMN1; SMN2TSHRPPARATTR
SCHEMBL27437488 0.80 SMN1; SMN2 (0.46) CYP2C9SMN1; SMN2TSHRPPARATTR
SCHEMBL28038435 0.80 CYP2C9 (0.45) CYP2C9SMN1; SMN2TSHRPPARATTR
SCHEMBL27403177 0.79 CYP2C9 (0.44) CYP2C9SMN1; SMN2TSHRPPARATTR
SCHEMBL7524483 0.78 PPARA (0.44) CYP2C9SMN1; SMN2TSHRPPARATTR
Propionic Acid SCHEMBL28830277 0.78 CYP2C9 (0.44) CYP2C9SMN1; SMN2TSHRPPARATTR

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-2682382-B1 Method for Producing Phenylacetamide Compound SUMITOMO CHEMICAL CO (JP) 2016-11-23 — — EP disclosed
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