SCHEMBL7549093

SCHEMBL7549093

CCC1(C)CCc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.44
KDM1A O60341 4/20 0.44
MAOB P27338 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR2A P28223 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TP53 P04637 2/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
EBP Q15125 1/20 0.39

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
SCHEMBL30298335 1.00 SIGMAR1 (0.44) SIGMAR1KDM1AMAOBMEN1KMT2A
SCHEMBL30298333 1.00 SIGMAR1 (0.44) SIGMAR1KDM1AMAOBMEN1KMT2A
Methyl Alcohol SCHEMBL14815579 0.96 SIGMAR1 (0.42) SIGMAR1KDM1AMAOBMEN1KMT2A
SCHEMBL5547560 0.89 KDM1A (0.53) SIGMAR1KDM1AMEN1KMT2AHTR2A
SCHEMBL22175918 0.80 SIGMAR1 (0.50) SIGMAR1KDM1AESR1ESR2EBP
SCHEMBL3409878 0.79 ESR1 (0.54) SIGMAR1KDM1AMAOBMEN1KMT2A
SCHEMBL19259384 0.79 SIGMAR1 (0.52) SIGMAR1KDM1AALDH1A1CYP1A2CYP2D6
SCHEMBL28922175 0.78 SIGMAR1 (0.41) SIGMAR1KDM1AMAOBMEN1KMT2A
SCHEMBL27967814 0.78 KDM1A (0.39) SIGMAR1KDM1AMAOBMEN1KMT2A
SCHEMBL2150153 0.78 SIGMAR1 (0.45) SIGMAR1KDM1AMAOBALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0996608-B1 METHOD OF MAKING 2,6-DIMETHYLNAPHTHALENE FROM OTHER DIMETHYLNAPHTHALENE ISOMERS AND FROM DIMETHYLTETRALINS/DIMETHYLDECALINS WITH A METHYL GROUP ON EACH RING CHEVRON PHILLIPS CHEMICAL CO (US) 2002-07-03 EP disclosed
EP-0996608-A1 METHOD OF MAKING 2,6-DIMETHYLNAPHTHALENE FROM OTHER DIMETHYLNAPHTHALENE ISOMERS AND FROM DIMETHYLTETRALINS/DIMETHYLDECALINS WITH A METHYL GROUP ON EACH RING Chevron Chemical Company LLC (US) 2000-05-03 EP disclosed
US-6015930-A HYDROISOMERIZING WITH ACIDIC CATALYST AND METAL, DEHYDROGENATING WITH REFORMING CATALYST CHEVRON CHEMICAL COMPANY (US) 2000-01-18 US disclosed
WO-1999003805-A1 METHOD OF MAKING 2,6-DIMETHYLNAPHTHALENE FROM OTHER DIMETHYLNAPHTHALENE ISOMERS AND FROM DIMETHYLTETRALINS/DIMETHYLDECALINS WITH A METHYL GROUP ON EACH RING CHEVRON CHEMICAL COMPANY LLC (US) 1999-01-28 WO disclosed
US-4315951-A Flavoring with indane alkanols and tricyclic isochromans INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1982-02-16 US disclosed
US-4308412-A Indane alkanols and tricyclic isochromans and organoleptic uses thereof INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-12-29 US disclosed
US-4300008-A TANTALUM PENTAFLUORIDE OR NIOBIUM PENTAFLUORIDE ISOMERIZATION CATALYSTS STANDARD OIL COMPANY (INDIANA) (US) 1981-11-10 US disclosed
US-4265818-A FOOD FLAVORINGS OR PERFUME COSTNETIC AROMAS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-05-05 US disclosed