SCHEMBL29079338

SCHEMBL29079338

CSc1cccc(NC(=O)CCc2ccc(O)cc2)c1

nearest known ligand 0.81

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
SMN1; SMN2 Q16637 5/20 0.57
MAPT P10636 5/20 0.57
GAA P10253 2/20 0.57
POLB P06746 2/20 0.56
ALDH1A1 P00352 2/20 0.55
HPGD P15428 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
STAT3 P40763 1/20 0.55
TP53 P04637 1/20 0.52
MAPK1 P28482 1/20 0.52
HSD17B10 Q99714 1/20 0.52
HTT P42858 1/20 0.52

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
SCHEMBL29079372 0.86 SMN1; SMN2 (0.74) MEN1KMT2ASMN1; SMN2MAPTPOLB
SCHEMBL29079375 0.83 HDAC2 (0.55) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL29079346 0.81 SMN1; SMN2 (0.56) MEN1KMT2ASMN1; SMN2MAPTGAA
SCHEMBL11820160 0.79 MEN1 (0.70) MEN1KMT2ASMN1; SMN2MAPTGAA
SCHEMBL28723981 0.78 GAA (0.64) SMN1; SMN2MAPTGAAPOLBALDH1A1
SCHEMBL29601047 0.78 GAA (0.64) SMN1; SMN2MAPTGAAPOLBALDH1A1
SCHEMBL29079351 0.78 MAPT (0.68) MAPTGAAALDH1A1HPGDHTT
SCHEMBL12915848 0.78 MAPT (0.80) KMT2AMAPTGAAALDH1A1HTT
SCHEMBL7239204 0.78 ALDH1A1 (0.58) MEN1KMT2ASMN1; SMN2MAPTGAA
SCHEMBL29167168 0.78 MAPT (0.48) MEN1KMT2ASMN1; SMN2MAPTPOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117417279-A Phenoxyacetic acid compound, isomer thereof, pharmaceutically acceptable salt or solvate thereof, pharmaceutical composition and medical application 中国人民解放军军事科学院军事医学研究院 2024-01-19 CN disclosed
CN-116803977-A Preparation method and application of phenoxyacetic acid derivative 中国人民解放军军事科学院军事医学研究院 2023-09-26 CN disclosed