SCHEMBL11141986

SCHEMBL11141986

CCCCCCCCc1ccc(CC=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.59
ADRA2A P08913 2/20 0.59
ADORA3 P0DMS8 2/20 0.59
TACR2 P21452 2/20 0.59
SLC6A2 P23975 2/20 0.59
SLC6A4 P31645 2/20 0.59
SLC6A3 Q01959 2/20 0.59
ALDH1A1 P00352 2/20 0.59
KDM4E B2RXH2 1/20 0.59
LMNA P02545 1/20 0.59
SHBG P04278 1/20 0.59
TP53 P04637 1/20 0.59
CYP3A4 P08684 1/20 0.59
HSPD1 P10809 1/20 0.59
ADRB3 P13945 1/20 0.59
HTR2C P28335 1/20 0.59
HSPE1 P61604 1/20 0.59
HIF1A Q16665 1/20 0.59
TST Q16762 1/20 0.59
HSD17B10 Q99714 1/20 0.59

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
SCHEMBL28400146 1.00 ESR1 (0.59) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL26660483 1.00 ESR1 (0.59) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL5394263 0.91 ALDH1A1 (0.53) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL8827593 0.86 TSHR (0.64) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL28582196 0.86 TSHR (0.58) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL97939 0.86 TSHR (0.64) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL15189293 0.86 ESR1 (0.57) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL23849704 0.84 ESR1 (0.77) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL2511615 0.84 ESR1 (0.77) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL4037557 0.84 ESR1 (0.77) ESR1ADRA2AADORA3TACR2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3092222-B1 IMPROVED FINGOLIMOD PROCESS EMCURE PHARMACEUTICALS LTD (IN) 2018-02-14 EP claimed
EP-3092222-A1 IMPROVED FINGOLIMOD PROCESS Emcure Pharmaceuticals Limited (IN) 2016-11-16 EP claimed
WO-2015107548-A1 IMPROVED FINGOLIMOD PROCESS EMCURE PHARMACEUTICALS LIMITED (IN) 2015-07-23 WO claimed
EP-3092222-B1 IMPROVED FINGOLIMOD PROCESS EMCURE PHARMACEUTICALS LTD (IN) 2018-02-14 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
EP-3092222-A1 IMPROVED FINGOLIMOD PROCESS Emcure Pharmaceuticals Limited (IN) 2016-11-16 EP disclosed
WO-2015107548-A1 IMPROVED FINGOLIMOD PROCESS EMCURE PHARMACEUTICALS LIMITED (IN) 2015-07-23 WO disclosed
WO-2015107548-A1 IMPROVED FINGOLIMOD PROCESS EMCURE PHARMACEUTICALS LIMITED (IN) 2015-07-23 WO disclosed
WO-2015107548-A1 IMPROVED FINGOLIMOD PROCESS EMCURE PHARMACEUTICALS LIMITED (IN) 2015-07-23 WO disclosed
WO-2014111949-A1 INTERMEDIATES AND PROCESS FOR THE PREPARATION OF HIGH PURITY FINGOLIMOD HYDROCHLORIDE NATCO PHARMA LIMITED (IN) 2014-07-24 WO disclosed
US-4405810-A ANTIALLERGENS, BRONCHODILATORS SCHERING CORPORATION (US) 1983-09-20 US disclosed