SCHEMBL5799786

SCHEMBL5799786

COC(=O)c1ccc(C=C(CO)CN2CCCC2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 6/20 0.44
HPGD P15428 3/20 0.44
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
HTT P42858 1/20 0.41
TSHR P16473 1/20 0.40
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL5821122 0.90 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1HPGDRAB9ANPC1
SCHEMBL5795985 0.90 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1HPGDRAB9ANPC1
SCHEMBL5795629 0.84 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1HPGDRAB9AHTT
SCHEMBL5821186 0.79 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1HPGDRAB9AHTT
SCHEMBL5821639 0.79 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1HPGDRAB9AHTT
SCHEMBL5798794 0.79 NQO2 (0.40) SMN1; SMN2ALDH1A1HPGDRAB9ANPC1
SCHEMBL5799042 0.77 FAAH (0.44) SMN1; SMN2ALDH1A1HPGDRAB9ANPC1
SCHEMBL22042582 0.75 RAB9A (0.57) SMN1; SMN2ALDH1A1HPGDRAB9ANPC1
SCHEMBL5799117 0.74 POLB (0.59) SMN1; SMN2ALDH1A1NPC1HTTMAPT
SCHEMBL5799115 0.74 POLB (0.59) SMN1; SMN2ALDH1A1NPC1HTTMAPT

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-2006025683-A1 ARYLAMINOMETHYL PROPENYL BENZHYDROXYAMID DERIVATIVES WITH INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND METHOD FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-03-09 WO disclosed