SCHEMBL31233271

SCHEMBL31233271

O=C(/C=C/c1ccc(OCC(O)CN2CCN(c3ccccc3)CC2)cc1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.67
MAPT P10636 4/20 0.63
ABCB1 P08183 8/20 0.63
MAPK1 P28482 2/20 0.62
KMT2A Q03164 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
ALDH1A1 P00352 2/20 0.60
LMNA P02545 1/20 0.60
ALOX15 P16050 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.56
TDP1 Q9NUW8 1/20 0.55

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
SCHEMBL25192668 0.96 HTR7 (0.70) HTR7MAPTABCB1MAPK1KMT2A
SCHEMBL25192218 0.96 HTR7 (0.70) HTR7MAPTABCB1MAPK1KMT2A
SCHEMBL25205738 0.93 ABCB1 (0.71) HTR7MAPTABCB1MAPK1KMT2A
SCHEMBL31233077 0.93 ABCB1 (0.71) HTR7MAPTABCB1MAPK1KMT2A
SCHEMBL3440502 0.93 MAPK1 (0.71) HTR7MAPTABCB1MAPK1KMT2A
SCHEMBL3440503 0.93 MAPK1 (0.71) HTR7MAPTABCB1MAPK1KMT2A
SCHEMBL25198533 0.89 MAPT (0.62) HTR7MAPTABCB1MAPK1KMT2A
SCHEMBL30383719 0.89 MAPT (0.62) HTR7MAPTABCB1MAPK1KMT2A
SCHEMBL25188674 0.89 ABCB1 (0.70) MAPTABCB1MAPK1KMT2AALDH1A1
SCHEMBL3440576 0.88 MAPT (0.67) HTR7MAPTABCB1MAPK1KMT2A

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
WO-2024233598-A1 COMPOSITIONS AND METHODS FOR TREATING BLEEDING AND BLEEDING DISORDERS YewSavin, Inc. (US) 2024-11-14 WO disclosed