SCHEMBL136696

SCHEMBL136696

CCC(C)C.Cc1cc(C)cc(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
TSHR P16473 3/20 0.42
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NOS2 P35228 5/20 0.38
NOS3 P29474 4/20 0.38
NOS1 P29475 3/20 0.38
CYP3A4 P08684 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ACHE P22303 1/20 0.35
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TPMT P51580 1/20 0.33
ALOX15 P16050 2/20 0.32

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
SCHEMBL8730421 0.77 ALDH1A1 (0.41) ALDH1A1TSHRHTTNPSR1CYP3A4
SCHEMBL5739348 0.73 NOS3 (0.43) ALDH1A1TSHRNOS2NOS3NOS1
Toluene SCHEMBL5025517 0.73 LMNA (0.61) ALDH1A1TSHRHTTACHEALOX12
SCHEMBL1823097 0.73
SCHEMBL8157971 0.73 TSHR (0.50) ALDH1A1TSHRCYP3A4L3MBTL1ALOX15
SCHEMBL6323 0.73
SCHEMBL341533 0.73 ALDH1A1 (0.67) ALDH1A1TSHRCYP3A4CYP1A2ACHE
SCHEMBL26115 0.73
SCHEMBL891350 0.73 TSHR (0.50) ALDH1A1TSHRCYP3A4L3MBTL1ALOX15
Isopropyl Alcohol SCHEMBL11909735 0.72 ALDH1A1 (0.53) ALDH1A1TSHRHTTNPSR1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8907150-B2 Biogenic fuel and method of making same SWIFT FUELS, LLC (US) 2014-12-09 US claimed
WO-2013028422-A2 BIOGENIC FUEL AND METHOD OF MAKING SAME SWIFT FUELS, LLC (US) 2013-02-28 WO claimed
US-20120059205-A1 Biogenic Fuel And Method Of Making Same SWIFT ENTERPRISES, LTD. (US) 2012-03-08 US claimed
US-8907150-B2 Biogenic fuel and method of making same SWIFT FUELS, LLC (US) 2014-12-09 US disclosed
US-8907150-B2 Biogenic fuel and method of making same SWIFT FUELS, LLC (US) 2014-12-09 US disclosed
WO-2013028422-A4 BIOGENIC FUEL AND METHOD OF MAKING SAME SWIFT FUELS, LLC (US) 2013-06-27 WO disclosed
WO-2013028422-A3 BIOGENIC FUEL AND METHOD OF MAKING SAME SWIFT FUELS, LLC (US) 2013-05-10 WO disclosed
WO-2013028422-A2 BIOGENIC FUEL AND METHOD OF MAKING SAME SWIFT FUELS, LLC (US) 2013-02-28 WO disclosed
WO-2013028422-A2 BIOGENIC FUEL AND METHOD OF MAKING SAME SWIFT FUELS, LLC (US) 2013-02-28 WO disclosed
US-20120059205-A1 Biogenic Fuel And Method Of Making Same SWIFT ENTERPRISES, LTD. (US) 2012-03-08 US disclosed
US-20120059205-A1 Biogenic Fuel And Method Of Making Same SWIFT ENTERPRISES, LTD. (US) 2012-03-08 US disclosed