SCHEMBL6172282

SCHEMBL6172282

CC(C)[Si](OCCOc1ccc(Br)cc1)(C(C)C)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 3/20 0.44
DRD4 P21917 2/20 0.42
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
LMNA P02545 3/20 0.42
MAOB P27338 3/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
S1PR4 O95977 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
RECQL P46063 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL18123687 0.79 MAOB (0.49) KDM4EALDH1A1DRD4DRD2DRD3
SCHEMBL6557649 0.78 MAOB (0.57) KDM4EALDH1A1DRD4DRD2DRD3
SCHEMBL6596310 0.76 TAAR1 (0.41) LMNAMAOBMAPK1SMN1; SMN2NPC1
SCHEMBL7931115 0.76 KDM4E (0.47) KDM4EALDH1A1DRD4DRD2DRD3
SCHEMBL30756705 0.74 S1PR4 (0.50) KDM4EALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL19886796 0.74 GAA (0.60) ALDH1A1LMNAMAPK1SMN1; SMN2MAPT
SCHEMBL14031270 0.74 TSHR (0.58) KDM4EALDH1A1DRD4DRD2DRD3
SCHEMBL2474081 0.74 ALDH1A1 (0.54) KDM4EALDH1A1DRD4DRD2DRD3
SCHEMBL941201 0.73 TDP1 (0.66) KDM4EALDH1A1DRD4DRD2DRD3
SCHEMBL22733473 0.73 KCNA3 (0.54) ALDH1A1DRD4DRD2DRD3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027051-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2005-01-05 EP disclosed
EP-0980366-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2004-06-09 EP disclosed
EP-0993300-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2002-07-31 EP disclosed
US-6391901-B1 Thrombin inhibitors ELI LILLY AND COMPANY 2002-05-21 US disclosed
US-6284756-B1 ANTICOAGULANT ELI LILLY AND COMPANY 2001-09-04 US disclosed
US-6271227-B1 ANTICOAGULANTS ELI LILLY AND COMPANY 2001-08-07 US disclosed
EP-1027051-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2001-03-07 EP disclosed
EP-1027051-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-08-16 EP disclosed
EP-0980366-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2000-05-17 EP disclosed
EP-0993300-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-04-19 EP disclosed
EP-0980366-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-02-23 EP disclosed
WO-1998048798-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed
WO-1998049160-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed
WO-1998048804-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed