SCHEMBL29068545

SCHEMBL29068545

CS(=O)(=O)CCCOc1ccc(NC(=O)C(=O)Cl)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.49
HTT P42858 1/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 2/20 0.44
MAPT P10636 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HPGD P15428 1/20 0.44
EGFR P00533 1/20 0.42
ITK Q08881 1/20 0.42
ACP1 P24666 1/20 0.42
PTPN12 Q05209 1/20 0.42
PTPN13 Q12923 1/20 0.42
SSU72 Q9NP77 1/20 0.42
LMNA P02545 2/20 0.41
KDR P35968 2/20 0.41
MAPK1 P28482 1/20 0.41
MAOA P21397 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41

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
SCHEMBL22556768 0.78 MRGPRX4 (0.53) RORCPOLBMAPTMEN1KMT2A
SCHEMBL22556736 0.72 THRA (0.48) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL29391574 0.72 THRA (0.48) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL22570643 0.72 THRA (0.48) POLBMAPTMEN1KMT2AHPGD
Hydrochloric Acid SCHEMBL29392777 0.72 THRA (0.47) POLBMAPTMEN1KMT2AHPGD
Hydrochloric Acid SCHEMBL22556835 0.72 THRA (0.47) POLBMAPTMEN1KMT2AHPGD
SCHEMBL22556779 0.70 THRA (0.43) MAPTHPGDLMNAMAPK1L3MBTL1
SCHEMBL20225812 0.70 L3MBTL1 (0.54) HTTPOLBALDH1A1MAPTMEN1
SCHEMBL15075274 0.69 MAPT (0.56) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL11812683 0.69 MAPT (0.76) RORCHTTALDH1A1MAPTMEN1

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-116745289-A Agonists of free fatty acid receptor 1 and their use in diseases associated with said receptor 奥洛治疗有限公司 2023-09-12 CN disclosed