SCHEMBL7595150

SCHEMBL7595150

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

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.37
THRB P10828 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
S100A4 P26447 1/20 0.33
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
ITGA4 P13612 1/20 0.31
PTGS2 P35354 2/20 0.30

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
SCHEMBL7595167 0.87 APEX1 (0.41) APEX1THRBTDP1ALDH1A1MAPT
SCHEMBL7596964 0.85 P2RX4 (0.33)
SCHEMBL7612764 0.83 MAPT (0.38) APEX1THRBTDP1ALDH1A1MAPT
SCHEMBL7597301 0.80 KMT2A (0.39) APEX1ALDH1A1MAPT
SCHEMBL7600206 0.80 PDK2 (0.39)
SCHEMBL7610982 0.79 PDK2 (0.40) APEX1
SCHEMBL7599929 0.78 TP53 (0.39)
SCHEMBL7595652 0.78 PDK2 (0.41)
SCHEMBL6777657 0.77 APEX1 (0.40) APEX1THRBTDP1S100A4
SCHEMBL7599983 0.77 PDK2 (0.37) ALDH1A1MAPTITGA4

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-2001047899-A1 SUBSTITUTED PIPERAZINE DERIVATIVES AS MTP INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-07-05 WO 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-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