SCHEMBL29020249

SCHEMBL29020249

O=C(Cc1ccc(Cl)cc1)Oc1ccc[nH]1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.43
HSD17B10 Q99714 2/20 0.42
ALDH1A1 P00352 2/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
KLK7 P49862 4/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 3/20 0.40
TSHR P16473 1/20 0.40
CA2 P00918 1/20 0.39
CA5A P35218 1/20 0.39

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
SCHEMBL29020257 0.85 SMN1; SMN2 (0.50) L3MBTL1SMN1; SMN2KMT2AALDH1A1MAPK1
SCHEMBL29020251 0.84 KDM4E (0.46) L3MBTL1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL29020287 0.84 L3MBTL1 (0.40) L3MBTL1SMN1; SMN2KMT2AHSD17B10ALDH1A1
SCHEMBL29020283 0.84 KMT2A (0.49) L3MBTL1SMN1; SMN2LMNAGAAKMT2A
SCHEMBL29020270 0.84 SMN1; SMN2 (0.40) L3MBTL1SMN1; SMN2LMNAGAAKMT2A
SCHEMBL29020262 0.84 CTBP2 (0.46) SMN1; SMN2GAAKMT2AHSD17B10ALDH1A1
SCHEMBL29020326 0.84 CNR2 (0.40) L3MBTL1SMN1; SMN2LMNAGAAKMT2A
SCHEMBL29020250 0.82 L3MBTL1 (0.56) L3MBTL1SMN1; SMN2GAAKMT2AALDH1A1
SCHEMBL29020276 0.75 MMP1 (0.39) HSD17B10ALDH1A1ALOX15MAPK1
SCHEMBL29020256 0.75 EGFR (0.40) HSD17B10ALDH1A1ALOX15MAPK1

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-115093355-B Preparation method of pyrrole ester compound 河南农业大学 2024-06-04 CN disclosed
CN-115093355-A Preparation method of pyrrole ester compound 河南农业大学 2022-09-23 CN disclosed