SCHEMBL8424347

SCHEMBL8424347

CNC(=O)C(O)(COc1cc(C)ccc1C)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.56
▸ TSHR P16473 3/20 0.48
▸ PPARA Q07869 3/20 0.47
▸ TDP1 Q9NUW8 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ TTR P02766 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C8 P10632 1/20 0.46
▸ CHRM1 P11229 1/20 0.46
▸ ADRA1A P35348 1/20 0.46
▸ PPARG P37231 1/20 0.46
▸ HTR2B P41595 1/20 0.46
▸ SLCO1B3 Q9NPD5 1/20 0.46
▸ CISD1 Q9NZ45 1/20 0.46
▸ SLCO1B1 Q9Y6L6 1/20 0.46
▸ HTT P42858 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ USP2 O75604 2/20 0.43

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
SCHEMBL12495523 0.84 CYP2C9 (0.52) CYP2C9TSHRPPARATDP1SMN1; SMN2
SCHEMBL8422702 0.74 CYP2C9 (0.46) CYP2C9TSHRPPARATDP1SMN1; SMN2
SCHEMBL21991307 0.72 CYP2C9 (1.00) CYP2C9TSHRPPARATDP1SMN1; SMN2
SCHEMBL18264902 0.71 PPARA (0.73) CYP2C9TSHRPPARATDP1SMN1; SMN2
SCHEMBL7969298 0.71 MEN1 (0.46) CYP2C9TSHRSMN1; SMN2HTTLMNA
SCHEMBL21991921 0.71 CYP2C9 (0.75) CYP2C9TSHRPPARATDP1SMN1; SMN2
SCHEMBL7524483 0.69 PPARA (0.44) CYP2C9TSHRPPARATDP1SMN1; SMN2
SCHEMBL22372044 0.69 SMN1; SMN2 (0.44) CYP2C9TSHRPPARATDP1SMN1; SMN2
SCHEMBL17715753 0.69 SMN1; SMN2 (0.44) CYP2C9TSHRPPARATDP1SMN1; SMN2
SCHEMBL13950675 0.68 LMNA (0.57) CYP2C9TSHRTDP1SMN1; SMN2CYP1A2

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-5948819-A α-substituted phenylacetic acid derivative, its production and agricultural fungicide containing it SHIONOGI & CO., LTD (JP) 1999-09-07 — — US disclosed
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