SCHEMBL28697364

SCHEMBL28697364

CCCCCC(CC)(C(=O)Nc1ccc(OC)cc1Oc1ccc(OCc2ccccc2)cc1OC)C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
ALOX12 P18054 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
EGFR P00533 2/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MTNR1A P48039 2/20 0.41
HPGD P15428 1/20 0.40
MAOB P27338 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL22658037 0.80 MAPT (0.48) ALDH1A1GAAMAPTALOX12SMN1; SMN2
SCHEMBL22658170 0.77 MAPT (0.45) ALDH1A1GAAMAPTALOX12SMN1; SMN2
SCHEMBL8991674 0.74 MTNR1A (0.49) MTNR1A
SCHEMBL18988643 0.68 MEN1 (0.50) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL22686870 0.68 MAOB (0.56) ALDH1A1GAAMAPTALOX12SMN1; SMN2
SCHEMBL8991519 0.67 GAA (0.44) GAAMTNR1A
SCHEMBL4054181 0.67 PDK1 (0.50) ALDH1A1GAAMAPTALOX12SMN1; SMN2
SCHEMBL19020239 0.66 ALDH1A1 (0.69) ALDH1A1GAAMAPTSMN1; SMN2KMT2A
SCHEMBL22658036 0.66 KMT2A (0.53) ALDH1A1GAAMAPTSMN1; SMN2MEN1
SCHEMBL3997171 0.66 BRD4 (0.60) ALDH1A1GAAMAPTALOX12SMN1; SMN2

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-114096524-A Small molecules for treating cancer, inhibiting chemokine activity and/or inducing cell death 阿龙拜欧有限公司 2022-02-25 CN disclosed