SCHEMBL6504610

SCHEMBL6504610

COC(=O)c1ccc(OCCNC(=O)C=C(COCCC2CCCN2)c2cc3ccccc3o2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.43
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 2/20 0.38
CHEK2 O96017 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
UTS2R Q9UKP6 1/20 0.37
KMT2A Q03164 6/20 0.37
MAPT P10636 6/20 0.37
POLB P06746 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MEN1 O00255 5/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
CASP3 P42574 2/20 0.35

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
Hydrochloric Acid SCHEMBL6508000 0.91 SMN1; SMN2 (0.44) HPGDTSHRSMN1; SMN2CHEK2UTS2R
SCHEMBL4834333 0.85 DRD3 (0.49) HPGDTSHRSMN1; SMN2KDM4EDRD2
SCHEMBL4833967 0.81 TSHR (0.48) HPGDTSHRSMN1; SMN2KDM4EDRD2
SCHEMBL4828371 0.80 TSHR (0.53) HPGDTSHRSMN1; SMN2KDM4EDRD2
SCHEMBL5760224 0.79 HPGD (0.48) HPGDTSHRSMN1; SMN2CHEK2DRD2
SCHEMBL4834405 0.78 SMN1; SMN2 (0.52) HPGDTSHRSMN1; SMN2KDM4EDRD2
SCHEMBL4834840 0.78 TSHR (0.57) HPGDTSHRSMN1; SMN2KDM4EDRD2
SCHEMBL4839715 0.77 SMN1; SMN2 (0.49) HPGDTSHRSMN1; SMN2KDM4EDRD2
SCHEMBL4839889 0.76 HPGD (0.47) HPGDTSHRSMN1; SMN2KDM4EDRD2
SCHEMBL14181485 0.76 HPGD (0.47) HPGDTSHRSMN1; SMN2KDM4EDRD2

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-2005097770-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS PHARMACYCLICS, INC. (US) 2005-10-20 WO disclosed