SCHEMBL31661752

SCHEMBL31661752

COc1cccc(C(=O)Nc2ccc(CCCC(=O)O)cc2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.66
RAB9A P51151 5/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
KMT2A Q03164 7/20 0.64
MEN1 O00255 6/20 0.64
TP53 P04637 3/20 0.63
KDM4E B2RXH2 1/20 0.63
TSHR P16473 1/20 0.63
NFKB1 P19838 1/20 0.63
NFKB2 Q00653 1/20 0.63
RELA Q04206 1/20 0.63
PKM P14618 2/20 0.62
ALDH1A1 P00352 2/20 0.62
HPGD P15428 1/20 0.62
MAPK1 P28482 1/20 0.62
KCNK3 O14649 1/20 0.60
KCNK9 Q9NPC2 1/20 0.60
HTT P42858 1/20 0.59
NR1H4 Q96RI1 1/20 0.58
AR P10275 1/20 0.58

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
SCHEMBL5659023 1.00 NPC1 (0.66) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL13618528 0.84 MEN1 (0.72) NPC1RAB9AKMT2AMEN1TP53
SCHEMBL6931919 0.83 KMT2A (0.70) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL10102714 0.82 NR1H4 (0.72) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL13593586 0.81 NR1H4 (0.58) SMN1; SMN2KMT2AMEN1TP53KDM4E
SCHEMBL14595003 0.81 ITGB3 (0.59) SMN1; SMN2KMT2AMEN1TP53KDM4E
SCHEMBL13814818 0.81 NR1H4 (0.58) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL2060736 0.81 NR1H4 (0.58) SMN1; SMN2KMT2AMEN1TP53KDM4E
SCHEMBL1468045 0.81 NR1H4 (0.58) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL5226157 0.80 NPC1 (1.00) NPC1RAB9ASMN1; SMN2KMT2AMEN1

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
WO-2025151884-A1 USE OF GLYCOSAMINOGLYCAN SULFATED POLYSACCHARIDES SUCH AS SODIUM PENTOSAN POLYSULFATE IN COMBINATION WITH PERMEATION AGENTS TO TREAT ALZHEIMER'S DISEASE PARSONS C LOWELL (US) 2025-07-17 WO claimed
WO-2025151884-A1 USE OF GLYCOSAMINOGLYCAN SULFATED POLYSACCHARIDES SUCH AS SODIUM PENTOSAN POLYSULFATE IN COMBINATION WITH PERMEATION AGENTS TO TREAT ALZHEIMER'S DISEASE PARSONS C LOWELL (US) 2025-07-17 WO disclosed