SCHEMBL5501057

SCHEMBL5501057

CC1CCC(C(C)C)C(CCCCCCC2CC(C)CCC2C(C)C)C1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 3/20 0.48
TRPA1 O75762 2/20 0.48
EPHX1 P07099 3/20 0.42
ALDH1A1 P00352 1/20 0.40
OPRM1 P35372 1/20 0.35
KCNA5 P22460 1/20 0.35
LMNA P02545 1/20 0.33
CYP19A1 P11511 2/20 0.32
KDM4E B2RXH2 1/20 0.32
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 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
SCHEMBL8332917 0.91 TRPM8 (0.42) TRPM8TRPA1EPHX1ALDH1A1OPRM1
SCHEMBL6915708 0.91 TRPM8 (0.42) TRPM8TRPA1EPHX1ALDH1A1OPRM1
SCHEMBL28083608 0.91 OPRM1 (0.45) TRPM8TRPA1EPHX1ALDH1A1OPRM1
SCHEMBL21380099 0.89 TRPM8 (0.47) TRPM8TRPA1EPHX1ALDH1A1OPRM1
SCHEMBL8688283 0.89 TRPM8 (0.46) TRPM8TRPA1EPHX1ALDH1A1OPRM1
SCHEMBL4661828 0.87 TRPM8 (0.48) TRPM8TRPA1EPHX1ALDH1A1OPRM1
SCHEMBL4314197 0.86 ALOX5 (0.46) TRPM8TRPA1EPHX1ALDH1A1LMNA
SCHEMBL30558909 0.84 TRPM8 (0.37) TRPM8TRPA1EPHX1ALDH1A1LMNA
SCHEMBL7610579 0.84 TRPM8 (0.48) TRPM8TRPA1EPHX1ALDH1A1OPRM1
SCHEMBL1380265 0.83 TRPM8 (0.41) TRPM8TRPA1EPHX1ALDH1A1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1040336-B1 METHOD FOR ON-LINE ANALYSIS OF ACID CATALYST FOR HYDROCARBON CONVERSION PROCESS CONOCOPHILLIPS CO (US) 2007-05-23 EP disclosed
EP-1040336-A1 METHOD FOR ON-LINE ANALYSIS OF ACID CATALYST FOR HYDROCARBON CONVERSION PROCESS Phillips Petroleum Company (US) 2000-10-04 EP disclosed
US-6096553-A ANALYZING CONCENTRATION OF COMPOUNDS IN A LIQUID MIXTURE; RECORDING AN ELECTROMAGNETIC ABSORBANCE SPECTRUM FOR LIQUID MIXTURE, DETERMINING CONCENTRATION OF ACID CATALYST AND ACID SOLUBLE OIL IN MIX; DETERMINING CONCENTRATION OF WATER UOP LLC 2000-08-01 US disclosed
WO-1999031484-A1 METHOD FOR ON-LINE ANALYSIS OF ACID CATALYST FOR HYDROCARBON CONVERSION PROCESS PHILLIPS PETROLEUM COMPANY (US) 1999-06-24 WO disclosed