SCHEMBL9170332

SCHEMBL9170332

O=C(O)CCCOc1ccc2c(c1)Oc1ccccc1N2

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.47
ACSL1 P33121 2/20 0.46
ACSL6 Q9UKU0 2/20 0.46
PDK2 Q15119 2/20 0.46
TSHR P16473 1/20 0.45
FFAR1 O14842 3/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
PPARA Q07869 2/20 0.44
HTR2B P41595 1/20 0.43
SERPINE1 P05121 1/20 0.43
BRD4 O60885 1/20 0.42
CREBBP Q92793 1/20 0.42

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
SCHEMBL9876953 0.74 ALOX5 (0.55) ALOX5MAPTTDP1L3MBTL1HTR2B
Phenoxazine SCHEMBL906621 0.73 KEAP1 (0.63) ALOX5FFAR1MAPTFFAR4
SCHEMBL4894070 0.72 ACSL1 (0.45) ACSL1ACSL6PDK2TSHRFFAR1
SCHEMBL27750898 0.72 ALOX5 (0.54) ALOX5TSHRMAPTHTR2B
SCHEMBL27837918 0.71 ALOX5 (0.50) ALOX5PDK2MAPTTDP1L3MBTL1
SCHEMBL31191629 0.71 ALOX5 (0.59) ALOX5MAPTTDP1L3MBTL1HTR2B
SCHEMBL30539402 0.71 PTPN7 (0.67) PDK2FFAR1TDP1FFAR4PPARA
SCHEMBL20886118 0.71 PTPN7 (0.67) PDK2FFAR1TDP1FFAR4PPARA
SCHEMBL21628231 0.71 ALOX5 (0.59) ALOX5MAPTTDP1L3MBTL1HTR2B
Phenoxazine SCHEMBL6292601 0.71 ALOX5 (0.63) ALOX5MAPTTDP1L3MBTL1HTR2B

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
EP-0274700-B1 Substrates for hydrolases BOEHRINGER MANNHEIM GMBH (DE) 1995-05-31 EP disclosed
US-5035998-A Hydrolase substrates BOEHRINGER MANNHEIM GMBH (DE) 1991-07-30 US disclosed
US-4900822-A New hydrolase substrates BOEHRINGER MANNHEIM GMBH (DE) 1990-02-13 US disclosed
EP-0274700-A1 Substrates for hydrolases Roche Diagnostics GmbH (DE) 1988-07-20 EP disclosed