SCHEMBL29120901

SCHEMBL29120901

CCC(C)(C)c1ccc(OCC(=O)Nc2ccc(Cl)c(N)c2)c(C(C)(C)CC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.54
MEN1 O00255 5/20 0.54
NPSR1 Q6W5P4 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
MAPK1 P28482 3/20 0.54
ALDH1A1 P00352 1/20 0.54
NPC1 O15118 4/20 0.51
RAB9A P51151 3/20 0.51
MAPT P10636 4/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
CDYL Q9Y232 1/20 0.42
NAMPT P43490 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 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
SCHEMBL30654944 1.00 KMT2A (0.54) KMT2AMEN1NPSR1SMN1; SMN2MAPK1
SCHEMBL5675715 0.89 RAB9A (0.48) KMT2AMEN1NPSR1SMN1; SMN2MAPK1
SCHEMBL11287066 0.86 MEN1 (0.59) KMT2AMEN1NPSR1SMN1; SMN2MAPK1
SCHEMBL30655505 0.82 NPC1 (0.54) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL8108006 0.82 MEN1 (0.57) KMT2AMEN1NPSR1SMN1; SMN2MAPK1
SCHEMBL10601000 0.82 MEN1 (0.54) KMT2AMEN1NPSR1SMN1; SMN2MAPK1
SCHEMBL9340133 0.82 SMN1; SMN2 (0.61) KMT2AMEN1NPSR1SMN1; SMN2MAPK1
SCHEMBL11343373 0.81 CDYL (0.49) KMT2AMEN1NPSR1SMN1; SMN2MAPK1
SCHEMBL10525796 0.81 SMN1; SMN2 (0.56) KMT2AMEN1NPSR1SMN1; SMN2MAPK1
SCHEMBL11556828 0.81 SMN1; SMN2 (0.56) KMT2AMEN1NPSR1SMN1; SMN2MAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117214366-A Application of biomarker in preparation of physiological ovarian aging diagnosis product 广州中医药大学第一附属医院 2023-12-12 CN claimed
CN-117214366-A Application of biomarker in preparation of physiological ovarian aging diagnosis product 广州中医药大学第一附属医院 2023-12-12 CN disclosed
CN-117214366-A Application of biomarker in preparation of physiological ovarian aging diagnosis product 广州中医药大学第一附属医院 2023-12-12 CN disclosed