SCHEMBL9503703

SCHEMBL9503703

Nc1cccc(C(=O)CCCC=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
MAPT P10636 1/20 0.42
NPC1 O15118 2/20 0.41
MITF O75030 1/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
F2 P00734 2/20 0.40
PLG P00747 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
HDAC3 O15379 3/20 0.39
HDAC4 P56524 3/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC7 Q8WUI4 3/20 0.39
HDAC2 Q92769 3/20 0.39

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
SCHEMBL5033087 0.80 PBRM1 (0.52) PBRM1LMNATDP1NPC1MITF
SCHEMBL10005649 0.80 NR4A2 (0.62) PBRM1LMNANPC1MITFPOLB
SCHEMBL946292 0.79 TDP1 (0.67) L3MBTL1LMNATDP1MAPTNPC1
SCHEMBL13483577 0.78 IDO1 (0.40) L3MBTL1LMNATDP1MAPTNPC1
SCHEMBL9504899 0.76 PBRM1 (0.45) PBRM1LMNANPC1MITFPOLB
SCHEMBL655728 0.76 PBRM1 (0.52) PBRM1L3MBTL1LMNAMAPTNPC1
SCHEMBL1538686 0.76 PBRM1 (0.52) PBRM1L3MBTL1LMNATDP1MAPT
SCHEMBL27324757 0.76 PBRM1 (0.52) PBRM1L3MBTL1LMNATDP1MAPT
SCHEMBL28359889 0.75 PBRM1 (0.59) PBRM1LMNATDP1MAPTNPC1
SCHEMBL19287159 0.74 HDAC1 (0.60) LMNATDP1MAPTNPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0395991-B1 3-AMINOPHENYL-1,5-PENTANEDIONES BASF Aktiengesellschaft (DE) 1993-06-23 EP claimed
US-5053524-A Intermediate for synthesis of triphenylcyclopentadiene dyes BASF AKTIENGESELLSCHAFT (DE) 1991-10-01 US claimed
EP-0395991-A1 3-Aminophenyl-1,5-pentanediones BASF Aktiengesellschaft (DE) 1990-11-07 EP claimed
EP-0395991-B1 3-AMINOPHENYL-1,5-PENTANEDIONES BASF Aktiengesellschaft (DE) 1993-06-23 EP disclosed
EP-0395991-B1 3-AMINOPHENYL-1,5-PENTANEDIONES BASF Aktiengesellschaft (DE) 1993-06-23 EP disclosed
US-5053524-A Intermediate for synthesis of triphenylcyclopentadiene dyes BASF AKTIENGESELLSCHAFT (DE) 1991-10-01 US disclosed
US-5053524-A Intermediate for synthesis of triphenylcyclopentadiene dyes BASF AKTIENGESELLSCHAFT (DE) 1991-10-01 US disclosed
EP-0395991-A1 3-Aminophenyl-1,5-pentanediones BASF Aktiengesellschaft (DE) 1990-11-07 EP disclosed
EP-0395991-A1 3-Aminophenyl-1,5-pentanediones BASF Aktiengesellschaft (DE) 1990-11-07 EP disclosed
EP-0395991-A1 3-Aminophenyl-1,5-pentanediones BASF Aktiengesellschaft (DE) 1990-11-07 EP disclosed