SCHEMBL8085964

SCHEMBL8085964

CCCCCOc1cc(C(=O)O)ccc1NC(=O)CCCC

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
ATM Q13315 1/20 0.52
ALDH1A1 P00352 2/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.50
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
PTPN11 Q06124 1/20 0.50
KDM4E B2RXH2 1/20 0.49
PLA2G4B P0C869 1/20 0.49
GAA P10253 1/20 0.48
SMPD1 P17405 1/20 0.48

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
SCHEMBL27643987 0.87 L3MBTL1 (0.60) L3MBTL1ALDH1A1HPGDHTTGAA
SCHEMBL10584504 0.81 POLB (0.57) POLBL3MBTL1ALDH1A1HPGDHTT
SCHEMBL11380018 0.80 POLB (0.67) POLBALDH1A1HTTKDM4E
SCHEMBL7569415 0.80 KDM4E (0.60) POLBL3MBTL1ALDH1A1HPGDHTT
SCHEMBL3559044 0.79 POLB (0.62) POLBL3MBTL1ATMALDH1A1HPGD
SCHEMBL10978862 0.78 HDAC3 (0.55) POLBL3MBTL1ALDH1A1HPGDHTT
SCHEMBL10978779 0.78 HDAC3 (0.55) POLBL3MBTL1ALDH1A1HPGDHTT
SCHEMBL10990471 0.78 HDAC3 (0.55) POLBL3MBTL1ALDH1A1HPGDHTT
SCHEMBL10978062 0.78 HDAC3 (0.55) POLBL3MBTL1ALDH1A1HPGDHTT
SCHEMBL10988684 0.78 HDAC3 (0.55) POLBL3MBTL1ALDH1A1HPGDHTT

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
US-6017919-A Compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2000-01-25 US disclosed
EP-0887340-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF Japan Tobacco Inc. (JP) 1998-12-30 EP disclosed