SCHEMBL17715753

SCHEMBL17715753

CC[C@](OC)(C(=O)NC)c1ccccc1COc1cc(C)ccc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ TDP1 Q9NUW8 3/20 0.40
▸ GAA P10253 1/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ PPARA Q07869 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ FFAR1 O14842 1/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.39
▸ TTR P02766 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C8 P10632 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ PPARG P37231 1/20 0.38

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
SCHEMBL7524483 0.86 PPARA (0.44) SMN1; SMN2TDP1GAACYP2C9LMNA
SCHEMBL22372044 0.86 SMN1; SMN2 (0.44) SMN1; SMN2TDP1GAACYP2C9LMNA
SCHEMBL27434536 0.77 CYP2C9 (0.52) SMN1; SMN2TDP1CYP2C9LMNAHTT
SCHEMBL12495523 0.77 CYP2C9 (0.52) SMN1; SMN2TDP1GAACYP2C9LMNA
SCHEMBL27437488 0.76 SMN1; SMN2 (0.46) SMN1; SMN2TDP1GAACYP2C9LMNA
SCHEMBL28084205 0.75 CYP2C9 (0.47) SMN1; SMN2TDP1CYP2C9LMNAHTT
SCHEMBL18241048 0.75 CYP2C9 (0.54) SMN1; SMN2TDP1CYP2C9LMNAHTT
Propionic Acid SCHEMBL28830277 0.74 CYP2C9 (0.44) SMN1; SMN2TDP1GAACYP2C9LMNA
SCHEMBL12894351 0.74 SMN1; SMN2 (0.46) SMN1; SMN2TDP1CYP2C9LMNAHTT
SCHEMBL7784387 0.74 SMN1; SMN2 (0.51) SMN1; SMN2TDP1CYP2C9LMNAHTT

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-2542069-B1 PLANT DISEASE CONTROLLING COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASE SUMITOMO CHEMICAL CO (JP) 2016-05-04 — — EP disclosed
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