SCHEMBL29079372

SCHEMBL29079372

CSc1cccc(NC(=O)Cc2ccc(O)cc2)c1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.74
STAT3 P40763 1/20 0.67
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
HTT P42858 1/20 0.64
NLRP3 Q96P20 8/20 0.60
POLB P06746 2/20 0.59
ALDH1A1 P00352 3/20 0.58
HPGD P15428 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
MAPT P10636 2/20 0.56
TP53 P04637 1/20 0.55
MAPK1 P28482 1/20 0.55
HSD17B10 Q99714 1/20 0.55

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
SCHEMBL29079338 0.86 MEN1 (0.63) SMN1; SMN2STAT3MEN1KMT2AHTT
SCHEMBL24254549 0.83 SMN1; SMN2 (0.67) SMN1; SMN2STAT3MEN1KMT2AHTT
SCHEMBL29079332 0.82 BCHE (0.58) SMN1; SMN2MEN1KMT2AHTTNLRP3
SCHEMBL8365160 0.81 ALDH1A1 (0.76) MEN1KMT2ANLRP3ALDH1A1HPGD
SCHEMBL29079342 0.80 SMN1; SMN2 (0.71) SMN1; SMN2STAT3MEN1KMT2AHTT
SCHEMBL28335090 0.79 MEN1 (1.00) SMN1; SMN2MEN1KMT2AHTTPOLB
SCHEMBL11679178 0.79 MEN1 (0.77) SMN1; SMN2STAT3MEN1KMT2AHTT
SCHEMBL2455559 0.78 MEN1 (0.66) SMN1; SMN2MEN1KMT2ANLRP3ALDH1A1
SCHEMBL8090356 0.78 MEN1 (0.74) SMN1; SMN2STAT3MEN1KMT2AHTT
SCHEMBL4007599 0.78 MEN1 (0.74) SMN1; SMN2STAT3MEN1KMT2AHTT

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