SCHEMBL29564249

SCHEMBL29564249

CC(=O)Nc1ccccc1OS(=O)(=O)O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.54
HSD17B10 Q99714 1/20 0.53
ALDH1A1 P00352 2/20 0.50
HPGD P15428 1/20 0.50
LMNA P02545 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
POLB P06746 3/20 0.47
HTT P42858 2/20 0.47
FABP1 P07148 1/20 0.47
KMT2A Q03164 2/20 0.46
TSHR P16473 2/20 0.46
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAOA P21397 1/20 0.45
CYP2C19 P33261 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL10338947 1.00 BRD4 (0.54) BRD4HSD17B10ALDH1A1HPGDLMNA
SCHEMBL31531929 0.87 FABP1 (0.44) BRD4HSD17B10ALDH1A1HPGDLMNA
SCHEMBL10506960 0.83 FABP1 (0.62) BRD4HSD17B10ALDH1A1HPGDLMNA
SCHEMBL5324342 0.80 FABP1 (0.50) HSD17B10ALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL7022485 0.80 HSD17B10 (0.54) BRD4HSD17B10ALDH1A1HPGDLMNA
SCHEMBL30892502 0.80 BRD4 (0.62) BRD4HSD17B10ALDH1A1HPGDLMNA
SCHEMBL10822262 0.80 BRD4 (0.62) BRD4HSD17B10ALDH1A1HPGDLMNA
SCHEMBL2235192 0.79 KMT2A (0.68) BRD4ALDH1A1LMNASMN1; SMN2POLB
SCHEMBL24109131 0.78 FABP1 (0.51) HSD17B10ALDH1A1POLBHTTFABP1
SCHEMBL9287644 0.78 HSD17B10 (0.68) BRD4HSD17B10ALDH1A1HPGDLMNA

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
EP-4225944-A1 MEANS AND METHODS TO DIAGNOSE GUT FLORA DYSBIOSIS AND INFLAMMATION VIB VZW (BE) 2023-08-16 EP disclosed
WO-2022073973-A1 MEANS AND METHODS TO DIAGNOSE GUT FLORA DYSBIOSIS AND INFLAMMATION VIB VZW (BE) 2022-04-14 WO disclosed