SCHEMBL3287440

SCHEMBL3287440

CC1C=C(c2ccccc2)OC(C)C1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 1/20 0.36
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ POLB P06746 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ALDH2 P05091 1/20 0.32
▸ NISCH Q9Y2I1 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ RAB9A P51151 1/20 0.30

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
SCHEMBL8162834 0.72 GRM2 (0.38) GRM2MAOAMAOBSMN1; SMN2TSHR
SCHEMBL27771891 0.67 ALDH1A1 (0.36) GRM2MAOAMAOBSMN1; SMN2MEN1
Biphenyl SCHEMBL1950563 0.65 ALDH1A1 (0.50) GRM2MAOBSMN1; SMN2TSHRMEN1
SCHEMBL5460700 0.63 MEN1 (0.36) GRM2SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL6169620 0.60 GRM2 (0.35) GRM2MAOAMAOBSMN1; SMN2TSHR
Phenol SCHEMBL1224881 0.57 CA12 (0.55) TSHRMEN1KMT2APOLBALDH1A1
SCHEMBL21617570 0.56 MEN1 (0.55) SMN1; SMN2TSHRMEN1KMT2APOLB
Biphenyl SCHEMBL28877571 0.56 ALDH1A1 (0.60) MAOAMAOBSMN1; SMN2TSHRALDH1A1
Biphenyl SCHEMBL28376025 0.56 ALDH1A1 (0.60) MAOASMN1; SMN2NISCHALDH1A1NPC1
SCHEMBL3135606 0.56 — —

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
US-7713922-B2 Perfume compositions QUEST INTERNATIONAL SERVICES B.V. (NL) 2010-05-11 — — US claimed
US-20090137450-A1 Perfume Compositions QUEST INTERNATIONAL SERVICES B.V. (NL) 2009-05-28 — — US claimed
EP-1926530-A1 PERFUME COMPOSITIONS Quest International Services B.V. (NL) 2008-06-04 — — EP claimed
WO-2007034187-A1 PERFUME COMPOSITIONS QUEST INTERNATIONAL SERVICES B.V. (NL) 2007-03-29 — — WO claimed
CN-1077985-A Aqueous or the gluey bleaching composition of amide-containing peroxyacid bleach and perfume compound PROCTER & GAMBLE (US) 1993-11-03 — — CN claimed
CN-1247617-C Polymeric nanoparticles comprising odorous components GIVAUDAN SA (CH) 2006-03-29 — — CN disclosed
CN-1423661-A Polymeric nano particles including olfactive components GIVAUDAN SA (CH) 2003-06-11 — — CN disclosed
EP-0854143-B1 Diels-Alder reaction of aldehydes with simple dienes QUEST INT (NL) 2001-11-07 — — EP disclosed
US-6114548-A TO YIELD 5,6-DIHYDROPYRANS QUEST INTERNATIONAL B.V. (NL) 2000-09-05 — — US disclosed
EP-0854143-A1 Diels-Alder reaction of aldehydes with simple dienes QUEST INTERNATIONAL B.V. (NL) 1998-07-22 — — EP disclosed
CN-1080953-A A kind of aqueous liquid bleach compositions with fluorescent whitening agent and polyvinyl pyrrolidone or polyvinyl alcohol PROCTER & GAMBLE (US) 1994-01-19 — — CN disclosed
CN-1077985-A Aqueous or the gluey bleaching composition of amide-containing peroxyacid bleach and perfume compound PROCTER & GAMBLE (US) 1993-11-03 — — CN disclosed
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