SCHEMBL6911654

SCHEMBL6911654

C=CCC1CC=C(C)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
CYP3A4 P08684 2/20 0.36
ALOX15 P16050 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 0.36
CHRNA7 P36544 1/20 0.36
STAT3 P40763 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
NOS3 P29474 3/20 0.34
NOS2 P35228 3/20 0.34
HPGD P15428 1/20 0.34
NOS1 P29475 2/20 0.33
PTPN1 P18031 1/20 0.31
CNR2 P34972 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
Methyl Alcohol SCHEMBL11303456 0.96 LMNA (0.44) LMNASMN1; SMN2NPC1ALDH1A1TSHR
SCHEMBL14690263 0.82 LMNA (0.40) LMNASMN1; SMN2NPC1ALDH1A1TSHR
SCHEMBL6905304 0.80
SCHEMBL4114207 0.79 LMNA (0.39) LMNASMN1; SMN2NPC1ALDH1A1TSHR
SCHEMBL7114986 0.78 CYP3A4 (0.50) LMNASMN1; SMN2NPC1ALDH1A1TSHR
SCHEMBL4538927 0.78 CYP3A4 (0.50) LMNASMN1; SMN2NPC1ALDH1A1TSHR
SCHEMBL10791728 0.78
SCHEMBL2563770 0.77 LMNA (0.45) LMNASMN1; SMN2NPC1ALDH1A1TSHR
SCHEMBL14734497 0.77 ESR2 (0.35) NOS3NOS2NOS1
SCHEMBL11213272 0.76 ESR2 (0.53) NOS3NOS2NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2214895-B1 MOLDS FOR PRODUCTION OF OPHTHALMIC DEVICES BAUSCH & LOMB (US) 2012-11-14 EP claimed
EP-1066337-B1 OXYGEN SCAVENGERS WITH REDUCED OXIDATION PRODUCTS FOR USE IN PLASTIC FILMS AND BEVERAGE AND FOOD CONTAINERS CHEVRON PHILLIPS CHEMICAL CO (US) 2004-11-03 EP claimed
US-4167947-A Substituted bicyclooctenemethanols, process for producing same and uses of same for augmenting or enhancing the organoleptic properties of smoking compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-09-18 US disclosed
US-4166916-A ENHANCES ORGANOLEPTIC PROPERTIES OF TOBACCOS AND PERFUMES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-09-04 US disclosed
US-4163737-A Substituted bicyclooctenemethanols, process for producing same and uses of same for augmenting or enhancing the organoleptic properties of tobaccos, perfumes and perfumed articles INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-08-07 US disclosed
US-4139484-A SOAPS, PERFUMES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-02-13 US disclosed
US-4128729-A ORGANOLEPTIC INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-12-05 US disclosed