SCHEMBL31396404

SCHEMBL31396404

CC(C)(Sc1nnnn1-c1ccc(C(=O)O)cc1)C(=O)c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.48
▸ HPGD P15428 3/20 0.48
▸ RARA P10276 4/20 0.48
▸ RARB P10826 4/20 0.48
▸ RARG P13631 4/20 0.48
▸ RXRA P19793 4/20 0.48
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ PTGS2 P35354 4/20 0.46
▸ ALDH1A1 P00352 3/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ PPARG P37231 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ HTT P42858 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
SCHEMBL21952034 0.87 MEN1 (0.46) RECQLHPGDMEN1KMT2AALDH1A1
SCHEMBL21952057 0.86 MAPK1 (0.54) RECQLHPGDRARGRXRAMEN1
SCHEMBL21952041 0.85 RECQL (0.54) RECQLHPGDMEN1KMT2APTGS2
SCHEMBL21952084 0.83 HPGD (0.47) RECQLHPGDMEN1KMT2AALDH1A1
SCHEMBL21952009 0.79 MAPT (0.60) RECQLHPGDMEN1KMT2AALDH1A1
SCHEMBL14532498 0.73 HPGD (0.66) RECQLHPGDMEN1KMT2APTGS2
SCHEMBL8043014 0.72 RECQL (0.49) RECQLHPGDMEN1KMT2APTGS2
SCHEMBL24019594 0.71 TP53 (0.72) HPGDMEN1KMT2AALDH1A1MAPK1
SCHEMBL12161303 0.71 MEN1 (0.62) RECQLHPGDMEN1KMT2APTGS2
SCHEMBL21951990 0.70 HPGD (0.50) RECQLHPGDMEN1KMT2AALDH1A1

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-115768422-B Ubiquitin ligase inhibitors for the treatment of cancer 诺沃亚桑托斯教授基金会 2025-03-04 — — CN disclosed
Send feedback