SCHEMBL7524483

SCHEMBL7524483

CNC(=O)C(C)(OC)c1ccccc1COc1cc(C)ccc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ TDP1 Q9NUW8 4/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ TTR P02766 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C8 P10632 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ PPARG P37231 1/20 0.44
▸ HTR2B P41595 1/20 0.44
▸ SLCO1B3 Q9NPD5 1/20 0.44
▸ CISD1 Q9NZ45 1/20 0.44
▸ SLCO1B1 Q9Y6L6 1/20 0.44
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ NR1H4 Q96RI1 1/20 0.41
▸ LMNA P02545 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
SCHEMBL22372044 0.87 SMN1; SMN2 (0.44) PPARASMN1; SMN2TDP1CYP2C9TSHR
SCHEMBL17715753 0.86 SMN1; SMN2 (0.44) PPARASMN1; SMN2TDP1CYP2C9TSHR
Propionic Acid SCHEMBL28830277 0.82 CYP2C9 (0.44) PPARASMN1; SMN2TDP1CYP2C9TSHR
SCHEMBL27437488 0.80 SMN1; SMN2 (0.46) PPARASMN1; SMN2TDP1CYP2C9TSHR
SCHEMBL28084205 0.78 CYP2C9 (0.47) PPARASMN1; SMN2TDP1CYP2C9TSHR
SCHEMBL12894351 0.78 SMN1; SMN2 (0.46) PPARASMN1; SMN2TDP1CYP2C9TSHR
SCHEMBL18241048 0.78 CYP2C9 (0.54) PPARASMN1; SMN2TDP1CYP2C9TSHR
SCHEMBL27434536 0.76 CYP2C9 (0.52) PPARASMN1; SMN2TDP1CYP2C9TSHR
SCHEMBL28038435 0.75 CYP2C9 (0.45) PPARASMN1; SMN2TDP1CYP2C9TSHR
SCHEMBL7784387 0.75 SMN1; SMN2 (0.51) SMN1; SMN2TDP1CYP2C9TSHRMEN1

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-1183948-A1 STROBILURIN FUNGICIDE COMPOSITION REDUCED IN CHEMICAL DAMAGE SHIONOGI & CO., LTD. (JP) 2002-03-06 — — EP disclosed
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