SCHEMBL901008

SCHEMBL901008

CCCCCCCCc1ccc(CCC[N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
KCNH2 Q12809 1/20 0.55
ESR1 P03372 2/20 0.53
ADRA2A P08913 2/20 0.53
ADORA3 P0DMS8 2/20 0.53
TACR2 P21452 2/20 0.53
SLC6A2 P23975 2/20 0.53
SLC6A4 P31645 2/20 0.53
SLC6A3 Q01959 2/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
SHBG P04278 1/20 0.53
TP53 P04637 1/20 0.53
CYP3A4 P08684 1/20 0.53
HSPD1 P10809 1/20 0.53
ADRB3 P13945 1/20 0.53
HTR2C P28335 1/20 0.53
HSPE1 P61604 1/20 0.53
HIF1A Q16665 1/20 0.53
TST Q16762 1/20 0.53

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
SCHEMBL2724731 1.00 ALDH1A1 (0.61) ALDH1A1KCNH2ESR1ADRA2AADORA3
SCHEMBL9513851 0.93 ALDH1A1 (0.55) ALDH1A1KCNH2ESR1ADRA2AADORA3
SCHEMBL8498864 0.85 KCNH2 (0.55) ALDH1A1KCNH2ESR1ADRA2AADORA3
SCHEMBL1687902 0.85 ALDH1A1 (0.46) ALDH1A1KCNH2LMNACA2
SCHEMBL509775 0.85 ALDH1A1 (0.52) ALDH1A1KCNH2ESR1ADRA2AADORA3
SCHEMBL2731049 0.83 THRA (0.59) HAO1RARB
SCHEMBL2725127 0.83 ALDH1A1 (0.49) ALDH1A1KCNH2ESR1ADRA2AADORA3
SCHEMBL10036593 0.83 THRA (0.59) HAO1RARB
SCHEMBL25174460 0.81 KCNH2 (0.77) ALDH1A1KCNH2ESR1ADRA2AADORA3
SCHEMBL8743949 0.81 KCNH2 (0.77) ALDH1A1KCNH2ESR1ADRA2AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120004747-A Synthesis method of fingolimod hydrochloride 杭州科耀医药科技有限公司 2025-05-16 CN claimed
EP-2632889-A2 INTERMEDIATE COMPOUNDS AND PROCESS FOR THE PREPARATION OF FINGOLIMOD Mapi Pharma Limited (IL) 2013-09-04 EP claimed
WO-2012056458-A2 INTERMEDIATE COMPOUNDS AND PROCESS FOR THE PREPARATION OF FINGOLIMOD MAPI PHARMA LTD. (IL) 2012-05-03 WO claimed
CN-120004747-A Synthesis method of fingolimod hydrochloride 杭州科耀医药科技有限公司 2025-05-16 CN disclosed
EP-2964210-B1 A PROCESS FOR THE PREPARATION OF 2-AMINO-1,3-PROPANE DIOL COMPOUNDS AND SALTS THEREOF BIOCON LTD (IN) 2023-10-04 EP disclosed
EP-3092222-B1 IMPROVED FINGOLIMOD PROCESS EMCURE PHARMACEUTICALS LTD (IN) 2018-02-14 EP disclosed
EP-3092222-A1 IMPROVED FINGOLIMOD PROCESS Emcure Pharmaceuticals Limited (IN) 2016-11-16 EP disclosed
US-9216943-B2 Preparation of fingolimod and its salts DR. REDDY'S LABORATORIES LTD. (IN) 2015-12-22 US disclosed
US-9216943-B2 Preparation of fingolimod and its salts DR. REDDY'S LABORATORIES LTD. (IN) 2015-12-22 US disclosed
US-9216943-B2 Preparation of fingolimod and its salts DR. REDDY'S LABORATORIES LTD. (IN) 2015-12-22 US disclosed
WO-2015107548-A1 IMPROVED FINGOLIMOD PROCESS EMCURE PHARMACEUTICALS LIMITED (IN) 2015-07-23 WO disclosed
WO-2011159870-A9 METHODS AND COMPOUNDS FOR THE PREPARATION OF FLUORINE-LABELED DEOXY-FTY720 BRACCO IMAGING S.P.A. (IT) 2012-04-12 WO disclosed
WO-2011159870-A9 METHODS AND COMPOUNDS FOR THE PREPARATION OF FLUORINE-LABELED DEOXY-FTY720 BRACCO IMAGING S.P.A. (IT) 2012-04-12 WO disclosed
WO-2012041707-A1 PROCESS FOR MAKING FINGOLIMOD SYNTHON BV (NL) 2012-04-05 WO disclosed
WO-2012041707-A1 PROCESS FOR MAKING FINGOLIMOD SYNTHON BV (NL) 2012-04-05 WO disclosed
WO-2012041359-A1 PROCESS FOR MAKING FINGOLIMOD SYNTHON B.V. (NL) 2012-04-05 WO disclosed
WO-2012041405-A1 PROCESS FOR MAKING FINGOLIMOD SYNTHON B.V. (NL) 2012-04-05 WO disclosed
WO-2012041405-A1 PROCESS FOR MAKING FINGOLIMOD SYNTHON B.V. (NL) 2012-04-05 WO disclosed
WO-2011159870-A1 METHODS AND COMPOUNDS FOR THE PREPARATION OF FLUORINE-LABELED DEOXY-FTY720 BRACCO IMAGING S.P.A. (IT) 2011-12-22 WO disclosed
WO-2011159870-A1 METHODS AND COMPOUNDS FOR THE PREPARATION OF FLUORINE-LABELED DEOXY-FTY720 BRACCO IMAGING S.P.A. (IT) 2011-12-22 WO disclosed