SCHEMBL6894878

SCHEMBL6894878

O=C(O)c1ccc(CCO)s1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DAO P14920 6/20 0.47
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
PRNP P04156 1/20 0.45
RECQL P46063 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
PKM P14618 1/20 0.42
LIG1 P18858 1/20 0.42
HPGD P15428 3/20 0.41
KMT2A Q03164 2/20 0.41
FOLR1 P15328 1/20 0.40
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
PLAU P00749 1/20 0.38
MAPT P10636 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
SCHEMBL9849708 0.85 ALDH1A1 (0.55) DAOALDH1A1LMNAPRNPRECQL
SCHEMBL1401537 0.83 DAO (0.50) DAOALDH1A1LMNAPRNPRECQL
SCHEMBL14942670 0.82 DAO (0.46) DAOALDH1A1LMNAPRNPRECQL
SCHEMBL15521803 0.82 DAO (0.45) DAOALDH1A1LMNAPRNPRECQL
SCHEMBL2409099 0.82 ALDH1A1 (0.47) DAOALDH1A1LMNAPRNPRECQL
SCHEMBL4058053 0.82 ALDH1A1 (0.60) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL8794696 0.82 DAO (0.50) DAOALDH1A1LMNAPRNPRECQL
SCHEMBL7644385 0.82 DAO (0.50) DAOALDH1A1LMNAPRNPRECQL
SCHEMBL262537 0.82 DAO (0.50) DAOALDH1A1LMNAPRNPRECQL
SCHEMBL1368290 0.81 NPSR1 (0.50) ALDH1A1LMNAPRNPRECQLRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105793250-A Heteroaryl derivatives for the treatment of respiratory diseases 奇斯药制品公司 2016-07-20 CN disclosed
US-20040082079-A1 Low affinity screening method GRAFFINITY PHARMACEUTICALS AG. (DE) 2004-04-29 US disclosed
EP-1360489-A1 LOW AFFINITY SCREENING METHOD Graffinity Pharmaceuticals Aktiengesellschaft (DE) 2003-11-12 EP disclosed
WO-2002063299-A1 LOW AFFINITY SCREENING METHOD GRAFFINITY PHARMACEUTICALS AG (DE) 2002-08-15 WO disclosed