SCHEMBL6676838

SCHEMBL6676838

COC(=O)Oc1c(C)cccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.45
KLRK1 P26718 4/20 0.42
MICA Q29983 4/20 0.42
RAET1L Q5VY80 4/20 0.42
CTSA P10619 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
SCN8A Q9UQD0 1/20 0.40
TP53 P04637 2/20 0.39
TRPV1 Q8NER1 2/20 0.39
KIF11 P52732 1/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
KDR P35968 1/20 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
SCHEMBL5282842 0.83 L3MBTL1 (0.47) BACE1CTSAMAPTRAB9AMEN1
SCHEMBL6674022 0.82 BACE1 (0.41) BACE1KLRK1MICARAET1LAKR1C3
SCHEMBL7041867 0.78 BACE1 (0.44) BACE1MAPTRAB9AMEN1HTT
SCHEMBL30755410 0.78 BACE1 (0.44) BACE1MAPTRAB9AMEN1HTT
SCHEMBL25257372 0.75 L3MBTL1 (0.55) MEN1KMT2APTPN1SMN1; SMN2
SCHEMBL17697649 0.73 BACE1 (0.49) BACE1MAPTMEN1HTTKMT2A
SCHEMBL6497035 0.73 BACE1 (0.47) BACE1AKR1C3AKR1C2MAPTRAB9A
SCHEMBL29917415 0.72 SLC6A3 (0.52) BACE1KLRK1MICARAET1LPTPN1
SCHEMBL697018 0.71 KIF11 (0.56) MEN1KMT2ATRPV1KIF11
SCHEMBL10304776 0.71 KIF11 (0.47) BACE1MAPTRAB9ATP53KIF11

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