SCHEMBL27453055

SCHEMBL27453055

CCCCCCCCc1ccc([C](C)N)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNNC1 P63316 5/20 0.62
S1PR1 P21453 2/20 0.62
SGPL1 O95470 1/20 0.62
S1PR4 O95977 1/20 0.62
GPR183 P32249 1/20 0.62
CERS2 Q96G23 1/20 0.62
S1PR3 Q99500 1/20 0.62
S1PR5 Q9H228 1/20 0.62
ESR1 P03372 2/20 0.60
ADRA2A P08913 2/20 0.60
ADORA3 P0DMS8 2/20 0.60
TACR2 P21452 2/20 0.60
SLC6A2 P23975 2/20 0.60
SLC6A4 P31645 2/20 0.60
SLC6A3 Q01959 2/20 0.60
THRA P10827 2/20 0.60
THRB P10828 2/20 0.60
ALDH1A1 P00352 2/20 0.60
KDM4E B2RXH2 1/20 0.60
LMNA P02545 1/20 0.60

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
SCHEMBL27676766 1.00 TNNC1 (0.62) TNNC1S1PR1SGPL1S1PR4GPR183
SCHEMBL6861222 0.86 ESR1 (0.62) TNNC1S1PR1SGPL1S1PR4GPR183
SCHEMBL8028839 0.84 ESR1 (0.64) TNNC1S1PR1SGPL1S1PR4GPR183
SCHEMBL27833284 0.84 ESR1 (0.64) TNNC1S1PR1SGPL1S1PR4GPR183
SCHEMBL8812120 0.84 ESR1 (0.64) TNNC1S1PR1SGPL1S1PR4GPR183
SCHEMBL7900686 0.83 SMN1; SMN2 (0.60) TNNC1S1PR1SGPL1S1PR4GPR183
SCHEMBL351935 0.83 THRA (0.65) THRATHRBALDH1A1RARBMEN1
SCHEMBL15655566 0.83 SMN1; SMN2 (0.60) TNNC1S1PR1SGPL1S1PR4GPR183
SCHEMBL6835676 0.83 THRA (0.65) THRATHRBALDH1A1RARBMEN1
SCHEMBL13617729 0.83 THRA (0.65) THRATHRBALDH1A1RARBMEN1

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 79 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101843897-B Sphingosine-1-phosphate receptor agonists in the treatment of demyelinating disorders NOVARTIS AG 2014-04-30 CN claimed
CN-103550195-A S1p receptor modulators for treating multiple sclerosis NOVARTIS AG 2014-02-05 CN claimed
CN-103476400-A Formulations comprising 2-amino-2-[2-(4 - octylphenyl) ethyl] propane -1, 3-diol NOVARTIS AG 2013-12-25 CN claimed
CN-101791406-B Use of sphingosine-1-phosphate (S1P) receptor agonists for the treatment of brain degenerative diseases NOVARTIS AG 2013-08-14 CN claimed
CN-101305990-B Use of EDG receptor binding agents in cancer NOVARTIS AG 2013-06-19 CN claimed
CN-101797241-B Solid pharmaceutical compositions comprising a sip receptor agonist and a sugar alcohol NOVARTIS AG 2013-03-27 CN claimed
CN-102579387-A Pharmaceutical compositions comprising an S1P modulator NOVARTIS AG 2012-07-18 CN claimed
CN-1993115-B Compound formulations of 2-amino-1, 3-propanediol compounds NOVARTIS AG (CH) 2011-12-28 CN claimed
CN-102076335-A Pediatric composition for the treatment of multiple sclerosis NOVARTIS AG 2011-05-25 CN claimed
CN-101237852-B Liquid formulations NOVARTIS AG 2011-01-26 CN claimed
CN-101272780-A DPP IV inhibitor for use in the treatment of autoimmune diseases and graft rejection NOVARTIS AG (CH) 2008-09-24 CN claimed
CN-101242829-A Pharmaceutical composition comprising PPAR regulator SANKYO CO (JP) 2008-08-13 CN claimed
CN-101132784-A Ophthalmic use of S1P receptor modulators NOVARTIS AG (CH) 2008-02-27 CN claimed
CN-101027048-A Medicinal composition as immunosuppressant SANKYO CO (JP) 2007-08-29 CN claimed
CN-1708293-A Sphingosine-1-phosphate receptor agonists for the treatment of demyelinating diseases NOVARTIS AG (CH) 2005-12-14 CN claimed
CN-1191062-C Medicinal compsns. MITSUBISHI PHARMACEUTICAL IND (JP) 2005-03-02 CN claimed
CN-1492757-A Use of accelerated lymphocyte homing agents for manufacture of medicament for treating delayed graft function in tissue transplant ��˹��ŵ�� 2004-04-28 CN claimed
CN-1146411-C New use of 1, 3-propanediol derivatives ��˹��ŵ�� 2004-04-21 CN claimed
CN-1294511-A Pharmaceutical composition YOSHITOMI PHARMACEUTICAL (JP) 2001-05-09 CN claimed
CN-1237906-A New use of 1, 3-propanediol derivatives NOVARTIS AG (CH) 1999-12-08 CN claimed