SCHEMBL6596310

SCHEMBL6596310

CC(C)[Si](OCCc1ccc(Br)cc1)(C(C)C)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.41
HTR2A P28223 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
IDO1 P14902 2/20 0.35
NPC1 O15118 1/20 0.35
NFKB1 P19838 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HMOX1 P09601 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
PYCR1 P32322 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL29183695 0.81 ESR1 (0.46) TAAR1SIGMAR1NPC1RAB9ASMN1; SMN2
SCHEMBL481295 0.81 IDO1 (0.47) TAAR1IDO1NPC1RAB9ASMN1; SMN2
SCHEMBL6172282 0.76 KDM4E (0.44) NPC1MAPK1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL23501460 0.76 ALDH1A1 (0.53) LMNA
SCHEMBL7772572 0.75 CYP4F2 (0.42) TAAR1HTR2ASIGMAR1
SCHEMBL9699720 0.75 TAAR1 (0.36) TAAR1HTR2ASIGMAR1IDO1MAOA
SCHEMBL23501363 0.75 ALDH1A1 (0.37)
SCHEMBL13721609 0.75 SIGMAR1 (0.33) SIGMAR1
SCHEMBL25216222 0.74 HTR2A (0.35) HTR2A
SCHEMBL23501241 0.74 CYP4F2 (0.57) NPC1RAB9ASMN1; SMN2L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9234848-B2 Compounds having chromophore and photoreactive groups CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2016-01-12 US disclosed
US-9234848-B2 Compounds having chromophore and photoreactive groups CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2016-01-12 US disclosed
US-20140045173-A1 COMPOUNDS HAVING CHROMOPHORE AND PHOTOREACTIVE GROUPS UNIVERSITE DE STRASBOURG (FR) 2014-02-13 US disclosed
US-20140045173-A1 COMPOUNDS HAVING CHROMOPHORE AND PHOTOREACTIVE GROUPS UNIVERSITE DE STRASBOURG (FR) 2014-02-13 US disclosed
EP-2688960-A1 COMPOUNDS HAVING CHROMOPHORE AND PHOTOREACTIVE GROUPS Centre National de la Recherche Scientifique (CNRS) (FR) 2014-01-29 EP disclosed
WO-2012130740-A1 COMPOUNDS HAVING CHROMOPHORE AND PHOTOREACTIVE GROUPS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) 2012-10-04 WO disclosed
EP-0980366-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2004-06-09 EP disclosed
US-6271227-B1 ANTICOAGULANTS ELI LILLY AND COMPANY 2001-08-07 US disclosed
US-6265575-B1 THROMBIN INHIBITORS ELI LILLY AND COMPANY 2001-07-24 US disclosed
US-6251921-B1 ADMINISTERING THROMBIN INHIBITING DIAMINE COMPOUND TO MAMMAL ELI LILLY AND COMPANY 2001-06-26 US disclosed
EP-0980366-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2000-05-17 EP disclosed
EP-0980366-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-02-23 EP disclosed
US-6025382-A Antithrombotic diamines ELI LILLY AND COMPANY (US) 2000-02-15 US disclosed
EP-0863755-A4 ANTITHROMBOTIC DIAMINES LILLY CO ELI (US) 1999-01-20 EP disclosed
WO-1998049160-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed
EP-0863755-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1998-09-16 EP disclosed
WO-1997025033-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1997-07-17 WO disclosed