SCHEMBL745476

SCHEMBL745476

NCC(=O)OCCCCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.62
TDP1 Q9NUW8 1/20 0.58
FFAR1 O14842 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 2/20 0.54
NPC1 O15118 1/20 0.51
RECQL P46063 1/20 0.51
RAB9A P51151 1/20 0.51
NAAA Q02083 2/20 0.50
KDM4E B2RXH2 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
MAOA P21397 1/20 0.50
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPT P10636 2/20 0.49
APOBEC3A P31941 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49

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
SCHEMBL15555967 0.95 LMNA (0.69) LMNATDP1FFAR1SMN1; SMN2ALDH1A1
SCHEMBL1960554 0.87 TDP1 (0.63) LMNATDP1FFAR1SMN1; SMN2ALDH1A1
SCHEMBL4486787 0.86 TDP1 (0.58) LMNATDP1FFAR1SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL4477247 0.85 TDP1 (0.57) LMNATDP1FFAR1SMN1; SMN2ALDH1A1
SCHEMBL19643833 0.84 TDP1 (0.70) LMNATDP1FFAR1SMN1; SMN2ALDH1A1
SCHEMBL9491435 0.83 TDP1 (0.79) LMNATDP1FFAR1SMN1; SMN2ALDH1A1
SCHEMBL7781081 0.83 TDP1 (0.68) LMNATDP1FFAR1SMN1; SMN2ALDH1A1
SCHEMBL16672854 0.83 TDP1 (0.58) LMNATDP1FFAR1SMN1; SMN2ALDH1A1
SCHEMBL18076001 0.83 TDP1 (0.58) LMNATDP1FFAR1SMN1; SMN2ALDH1A1
SCHEMBL1788500 0.83 TDP1 (0.68) LMNATDP1FFAR1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2431403-B1 POLYMER CONJUGATE OF BIOACTIVE SUBSTANCE HAVING HYDROXY GROUP NIPPON KAYAKU KK (JP) 2016-09-28 EP disclosed
EP-2431403-A1 POLYMER CONJUGATE OF BIOACTIVE SUBSTANCE HAVING HYDROXY GROUP Nippon Kayaku Kabushiki Kaisha (JP) 2012-03-21 EP disclosed