SCHEMBL28692292

SCHEMBL28692292

O=P(c1ccccc1)(c1ccccc1)C1CC=CCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KCNA5 P22460 1/20 0.36
KDM4E B2RXH2 4/20 0.35
HSD17B10 Q99714 2/20 0.35
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA5A P35218 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 4/20 0.32
HTT P42858 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 2/20 0.32
ALOX15 P16050 1/20 0.32
ESR2 Q92731 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
CFTR P13569 1/20 0.31
POLB P06746 1/20 0.31
AKR1C3 P42330 1/20 0.31

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
SCHEMBL10426380 0.78 SMN1; SMN2 (0.52) GAASMN1; SMN2KCNA5CA2CA4
SCHEMBL28318624 0.74 SMN1; SMN2 (0.53) GAASMN1; SMN2KCNA5CA2CA4
SCHEMBL13321940 0.74 GAA (0.53) GAASMN1; SMN2KCNA5CA2CA4
SCHEMBL13074520 0.73 GAA (0.47) GAASMN1; SMN2KCNA5CA2CA4
SCHEMBL778610 0.72 SMN1; SMN2 (0.52) GAASMN1; SMN2KCNA5CA2CA4
SCHEMBL9927225 0.72 SMN1; SMN2 (0.47) GAASMN1; SMN2KCNA5CA2CA4
SCHEMBL780393 0.71 ALDH1A1 (0.36) ALDH1A1ALOX15
SCHEMBL7516313 0.68 KCNA5 (0.41) GAASMN1; SMN2KCNA5CA2CA4
SCHEMBL778083 0.67 ALDH1A1 (0.33) ALDH1A1ALOX15
SCHEMBL27488768 0.67 ALDH1A1 (0.33) HSD17B10ALDH1A1HTTMEN1KMT2A

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
CN-110256489-B Preparation method of alkyl phosphonyl 苏州大学 2022-03-08 CN disclosed