SCHEMBL8942095

SCHEMBL8942095

CCOC(O)COc1ccc(N)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.57
TSHR P16473 1/20 0.57
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
APP P05067 1/20 0.41
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
NQO1 P15559 1/20 0.40
LMNA P02545 3/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAOA P21397 2/20 0.38
GAA P10253 1/20 0.38
MAOB P27338 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK1 P28482 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
SCHEMBL7567777 0.81 LMNA (0.60) ADRB2ADRB1ADRB3LMNAMAPT
SCHEMBL18869077 0.81 TDP1 (0.53) TDP1TSHRRAB9ASMN1; SMN2NPC1
SCHEMBL7124072 0.79 TDP1 (0.47) TDP1TSHRRAB9ASMN1; SMN2NPC1
SCHEMBL9615295 0.79 HIF1A (0.55) TDP1TSHRSMN1; SMN2TP53LMNA
SCHEMBL18261824 0.78 GAA (0.53) SMN1; SMN2ADRB2ADRB1LMNAMAPT
SCHEMBL7192862 0.78 PLA2G4B (0.57) TSHRTP53LMNAMAPTPOLB
SCHEMBL11683901 0.78 ALDH1A1 (0.47) SMN1; SMN2LMNAMAPTPOLBNPSR1
SCHEMBL6049252 0.78 TDP1 (0.55) TDP1TSHRSMN1; SMN2APPADRB2
SCHEMBL11510050 0.77 TDP1 (0.55) TDP1TSHRRAB9ASMN1; SMN2NPC1
SCHEMBL5494961 0.77 TDP1 (0.55) TDP1TSHRRAB9ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5578711-A Process for the preparation of dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1996-11-26 US disclosed
US-5541299-A Process for the preparation of dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1996-07-30 US disclosed
US-5502171-A Process for the preparation of dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1996-03-26 US disclosed
EP-0446731-B1 Process for the manufacture of azo dyes BAYER AG (DE) 1995-05-03 EP disclosed
EP-0446731-A2 Process for the manufacture of azo dyes BAYER AG (DE) 1991-09-18 EP disclosed