SCHEMBL7595167

SCHEMBL7595167

O=C(O)OC1(CCCCBr)c2ccccc2-c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.41
TDP1 Q9NUW8 2/20 0.39
THRB P10828 1/20 0.39
PDK2 Q15119 5/20 0.33
PTGS2 P35354 2/20 0.33
PTPN1 P18031 1/20 0.33
GSK3B P49841 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
KIF11 P52732 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ITGA4 P13612 1/20 0.31

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
SCHEMBL7595150 0.87 APEX1 (0.37) APEX1TDP1THRBPTGS2MAPT
SCHEMBL7612764 0.84 MAPT (0.38) APEX1TDP1THRBPDK2MAPT
SCHEMBL7599789 0.84 ALOX5 (0.32) TDP1PTGS2PTPN1GSK3BL3MBTL1
SCHEMBL7597301 0.84 KMT2A (0.39) APEX1MAPTLMNAALDH1A1
SCHEMBL7599929 0.82 TP53 (0.39)
SCHEMBL7600206 0.81 PDK2 (0.39) PDK2LMNA
SCHEMBL7610982 0.80 PDK2 (0.40) APEX1PDK2
SCHEMBL7595140 0.80 CA12 (0.42)
SCHEMBL7595652 0.79 PDK2 (0.41) PDK2L3MBTL1
SCHEMBL7599983 0.78 PDK2 (0.37) PDK2MAPTALDH1A1ITGA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1259492-A1 SUBSTITUTED PIPERAZINE DERIVATIVES AS MTP INHIBITORS Boehringer Ingelheim Pharma KG (DE) 2002-11-27 EP disclosed
EP-1255736-A2 SUBSTITUTED PIPERAZINE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) Boehringer Ingelheim Pharma KG (DE) 2002-11-13 EP disclosed
EP-1228053-A1 SUBSTITUTED PIPERAZINE DERIVATIVES, THE PRODUCTION AND USE THEREOF AS INHIBITORS OF THE MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) Boehringer Ingelheim Pharma KG (DE) 2002-08-07 EP disclosed
WO-2001047898-A2 SUBSTITUTED PIPERAZINE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-07-05 WO disclosed
WO-2001047899-A1 SUBSTITUTED PIPERAZINE DERIVATIVES AS MTP INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-07-05 WO disclosed
WO-2001021604-A1 SUBSTITUTED PIPERAZINE DERIVATIVES, THE PRODUCTION THEREOF AND THEIR USE AS INHIBITORS OF THE MICROSOMAL TRIGLYCERIDE-TRANSFER PROTEIN (MTP) BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-29 WO disclosed