SCHEMBL6673563

SCHEMBL6673563

Cn1cc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)nc1OC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTTP P55157 14/20 0.47
APOB P04114 4/20 0.45
S1PR1 P21453 2/20 0.45
S1PR3 Q99500 2/20 0.45
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
KLRK1 P26718 1/20 0.43
MICA Q29983 1/20 0.43
RAET1L Q5VY80 1/20 0.43

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
SCHEMBL6673495 0.86 MTTP (0.49) MTTPAPOBS1PR1S1PR3
SCHEMBL6673562 0.85 MTTP (0.47) MTTPAPOBS1PR1S1PR3KLRK1
SCHEMBL6672977 0.83 P2RY14 (0.43) MTTPAPOBS1PR1S1PR3
SCHEMBL6675701 0.82 MTTP (0.46) MTTPAPOB
SCHEMBL6674378 0.80 MTTP (0.44) MTTPAPOB
SCHEMBL6673930 0.80 MTTP (0.51) MTTPAPOB
SCHEMBL6676843 0.79 MTTP (0.48) MTTPAPOBALDH1A1HPGDKMT2A
SCHEMBL4057959 0.78 EPHX2 (0.51) KMT2A
SCHEMBL6678710 0.78 ALDH1A1 (0.48) MTTPAPOBALDH1A1HPGDKMT2A
SCHEMBL7039285 0.78 MTTP (0.51) MTTPAPOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465613-A2 COMBINATION OF MTP INHIBITORS OR APOB SECRETION INHIBITORS WITH FIBRATES FOR USE AS DRUGS Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2004-10-13 EP disclosed
WO-2003057205-A2 COMBINATION OF MTP INHIBITORS OR APOB SECRETION INHIBITORS WITH FIBRATES FOR USE AS DRUGS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-07-17 WO disclosed
WO-2003004020-A1 HETEROARYL CARBOXYLIC ACID AMIDES, THE PRODUCTION THEREOF AND THE USE OF THE SAME AS INHIBITORS OF THE MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-01-16 WO disclosed