SCHEMBL4043980

SCHEMBL4043980

COc1ccc(C2([C@@H](C(=O)Nc3c(C)cccc3C)C3CCCCC3)Nc3ccccc3N2)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 1/20 0.41
LPAR1 Q92633 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
PYGL P06737 3/20 0.39
KMT2A Q03164 6/20 0.39
MEN1 O00255 5/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EPHX1 P07099 1/20 0.38
GAA P10253 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL4044363 1.00 ALDH1A1 (0.41) ALDH1A1NPC1RAB9AMAPTLPAR1
SCHEMBL4035037 0.88 ALDH1A1 (0.50) ALDH1A1NPC1RAB9AMAPTKMT2A
SCHEMBL1577410 0.86 MEN1 (0.48) ALDH1A1NPC1RAB9AMAPTKMT2A
SCHEMBL4044757 0.86 MEN1 (0.48) ALDH1A1NPC1RAB9AMAPTKMT2A
SCHEMBL4034697 0.86 MEN1 (0.48) ALDH1A1NPC1RAB9AMAPTKMT2A
SCHEMBL4040713 0.85 MEN1 (0.44) ALDH1A1NPC1RAB9AMAPTKMT2A
SCHEMBL4043637 0.84 RAB9A (0.41) ALDH1A1NPC1RAB9AMAPTLPAR1
SCHEMBL4040175 0.83 KMT2A (0.50) ALDH1A1NPC1RAB9AMAPTKMT2A
SCHEMBL4039125 0.82 MEN1 (0.42) ALDH1A1NPC1RAB9AMAPTKMT2A
SCHEMBL4040874 0.82 PTPN1 (0.44) ALDH1A1NPC1RAB9AMAPTKMT2A

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-2038259-A1 BENZIMIDAZOLE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS FXR AGONISTS AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME F.HOFFMANN-LA ROCHE AG (CH) 2009-03-25 EP claimed
WO-2008000643-A1 BENZIMIDAZOLE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS FXR AGONISTS AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME F. HOFFMANN-LA ROCHE AG (CH) 2008-01-03 WO claimed
EP-3043865-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION Institut National de la Santé et de la Recherche Médicale (INSERM) (FR) 2016-07-20 EP disclosed
WO-2015036442-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2015-03-19 WO disclosed
EP-2038259-A1 BENZIMIDAZOLE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS FXR AGONISTS AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME F.HOFFMANN-LA ROCHE AG (CH) 2009-03-25 EP disclosed
WO-2008000643-A1 BENZIMIDAZOLE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, THEIR USE AS FXR AGONISTS AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME F. HOFFMANN-LA ROCHE AG (CH) 2008-01-03 WO disclosed