SCHEMBL1276408

SCHEMBL1276408

CCC=CCCC=C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
SQLE Q14534 5/20 0.39
ALDH1A1 P00352 4/20 0.38
MAPT P10636 3/20 0.38
CYP19A1 P11511 2/20 0.38
RXRA P19793 2/20 0.38
PPARG P37231 2/20 0.38
OXER1 Q8TDS5 2/20 0.38
FFAR1 O14842 1/20 0.38
PPARA Q07869 2/20 0.38
ALOX15 P16050 3/20 0.37
MEN1 O00255 2/20 0.37
CYP3A4 P08684 2/20 0.37
TSHR P16473 1/20 0.36
UGT1A1 P22309 1/20 0.36
PTGS1 P23219 2/20 0.35
F7 P08709 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
F3 P13726 1/20 0.35
PPARD Q03181 1/20 0.35

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
SCHEMBL8466690 1.00 KMT2A (0.46) KMT2ASQLEALDH1A1MAPTCYP19A1
SCHEMBL8853793 0.84 ALDH1A1 (0.44) KMT2AALDH1A1MAPTCYP19A1RXRA
SCHEMBL1276816 0.84 ALDH1A1 (0.42) KMT2ASQLEALDH1A1MAPTCYP19A1
SCHEMBL10753303 0.84 ALDH1A1 (0.44) KMT2AALDH1A1MAPTCYP19A1RXRA
SCHEMBL7286020 0.83 KMT2A (0.46) KMT2ASQLEALDH1A1MAPTALOX15
SCHEMBL7286253 0.82 ALDH1A1 (0.47) KMT2AALDH1A1MAPTCYP19A1RXRA
Octanol SCHEMBL29257636 0.82 LMNA (0.48) KMT2ASQLEALDH1A1MEN1TSHR
SCHEMBL10753300 0.79 KMT2A (0.33) KMT2AALDH1A1MAPTCYP19A1RXRA
SCHEMBL10753305 0.79 KMT2A (0.33) KMT2AALDH1A1MAPTCYP19A1RXRA
SCHEMBL19256983 0.79 F7 (0.43) KMT2ASQLEMAPTCYP19A1PPARG

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
CN-1749238-A Saturated and unsaturated N-alkylamides with taste and flavour enhancing effect in flavour compositions INT FLAVORS & FRAGRANCES INC (US) 2006-03-22 CN claimed
CN-118048210-A Detergent composition 广州立白企业集团有限公司 2024-05-17 CN disclosed
EP-2462095-B1 PROCESS AND SYSTEM FOR THE PRODUCTION OF ISOPRENE LUMMUS TECHNOLOGY INC (US) 2019-02-13 EP disclosed
CN-103025786-A Method for producing fluid, colourless polyoctenamer by ring-opening, metathetic polymerization of cyclooctene EVONIK DEGUSSA GMBH 2013-04-03 CN disclosed
EP-2462095-A2 PROCESS AND SYSTEM FOR THE PRODUCTION OF ISOPRENE Lummus Technology Inc. (US) 2012-06-13 EP disclosed
CN-102190593-A Saturated and unsaturated N-alkamides exhibiting taste and flavor enhancement effect in flavor compositions INT FLAVORS & FRAGRANCES INC 2011-09-21 CN disclosed
CN-1749238-B saturated and unsaturated N-alkylamides with taste and flavour enhancing effect in flavour compositions INT FLAVORS & FRAGRANCES INC 2011-04-27 CN disclosed
WO-2011016842-A2 PROCESS AND SYSTEM FOR THE PRODUCTION OF ISOPRENE LUMMUS TECHNOLOGY INC. (US) 2011-02-10 WO disclosed
CN-1749238-A Saturated and unsaturated N-alkylamides with taste and flavour enhancing effect in flavour compositions INT FLAVORS & FRAGRANCES INC (US) 2006-03-22 CN disclosed
EP-0685450-B1 Process for the preparation of esters of carboxylic acids derived from allylic alcohol FIRMENICH & CIE (CH) 1999-07-14 EP disclosed
US-5554786-A Process for the preparation of carboxylic esters defined from allylic alcohols FIRMENICH S.A. (CH) 1996-09-10 US disclosed
EP-0685450-A1 Process for the preparation of esters of carboxylic acids derived from allylic alcohol FIRMENICH SA (CH) 1995-12-06 EP disclosed
EP-0419944-B1 Oxazole and thiazole carboxylic acid amines BASF AG (DE) 1995-03-15 EP disclosed
EP-0419944-A2 Oxazole and thiazole carboxylic acid amines BASF Aktiengesellschaft (DE) 1991-04-03 EP disclosed