SCHEMBL23628935

SCHEMBL23628935

COC(C(N)=O)c1ccccc1COc1cc(C)ccc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 1/20 0.43
FABP4 P15090 1/20 0.42
FABP5 Q01469 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 2/20 0.41
GAA P10253 1/20 0.41
CYP2C9 P11712 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
LPAR1 Q92633 1/20 0.40
TTR P02766 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C8 P10632 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
SCHEMBL15375590 0.89 FABP4 (0.54) SMN1; SMN2ALDH1A1MEN1KMT2ANPC1
SCHEMBL7972543 0.88 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1MEN1KMT2AFABP4
Acetamide SCHEMBL28557945 0.87 MEN1 (0.42) SMN1; SMN2ALDH1A1MEN1KMT2ANPC1
SCHEMBL230669 0.86 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1MEN1KMT2AFABP4
SCHEMBL29371189 0.86 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1MEN1KMT2AFABP4
SCHEMBL182597 0.86 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1MEN1KMT2AFABP4
SCHEMBL16858325 0.86 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1MEN1KMT2AFABP4
SCHEMBL29365871 0.86 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1MEN1KMT2AFABP4
SCHEMBL29354984 0.86 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1MEN1KMT2AFABP4
SCHEMBL29368766 0.86 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1MEN1KMT2AFABP4

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-3847160-A1 FUNGICIDAL NITROANILINO SUBSTITUTED PYRAZOLES FMC Corporation (US) 2021-07-14 EP disclosed