SCHEMBL28044483

SCHEMBL28044483

Cc1cccc([O])c1OCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.53
▸ CD69 Q07108 3/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ GLA P06280 1/20 0.47
▸ MCL1 Q07820 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ PTGDR2 Q9Y5Y4 1/20 0.44
▸ FFAR1 O14842 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43

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
SCHEMBL830740 0.89 KMT2A (0.60) KMT2ACD69L3MBTL1ALOX15LMNA
SCHEMBL321504 0.82 L3MBTL1 (0.56) KMT2ACD69L3MBTL1GLASMN1; SMN2
SCHEMBL1887188 0.81 KMT2A (0.77) KMT2ACD69L3MBTL1MCL1ALOX15
SCHEMBL20509554 0.81 ALDH1A1 (0.60) KMT2ACD69ALOX15LMNASMN1; SMN2
SCHEMBL6743332 0.79 POLB (0.62) KMT2ACD69L3MBTL1GLALMNA
SCHEMBL4746689 0.78 PTGDR2 (0.57) KMT2ACD69L3MBTL1ALOX15LMNA
SCHEMBL6089997 0.78 PTGDR2 (0.50) KMT2ACD69L3MBTL1ALOX15LMNA
SCHEMBL5696285 0.78 ALDH1A1 (0.54) KMT2ACD69SMN1; SMN2ALDH1A1KDM4E
SCHEMBL13665129 0.77 FFAR1 (0.50) KMT2ACD69ALOX15LMNASMN1; SMN2
SCHEMBL6744370 0.76 SMN1; SMN2 (0.51) KMT2ACD69L3MBTL1GLAMCL1

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-105153146-A Novel 3-hydroxyisothiazole 1-oxide derivative MOCHIDA PHARM CO LTD 2015-12-16 — — CN disclosed
Send feedback