SCHEMBL9516634

SCHEMBL9516634

CC(C)C1CCCCC1C1CCC2CCCCC2C1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TRPA1 O75762 2/20 0.32
TRPM8 Q7Z2W7 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
SCHEMBL2989991 0.98 MEN1 (0.32) MEN1CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL3003655 0.91 TRPA1 (0.34) MEN1CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL3360230 0.82 TRPA1 (0.37) CYP1A2CYP2D6ALDH1A1TRPA1TRPM8
SCHEMBL2994630 0.81
SCHEMBL27969295 0.80 TRPA1 (0.34) TRPA1TRPM8
SCHEMBL23914125 0.80 TRPA1 (0.38) TRPA1TRPM8
SCHEMBL18950740 0.78 TRPA1 (0.37) TRPA1TRPM8
SCHEMBL2992554 0.77 TRPA1 (0.33) TRPA1TRPM8
SCHEMBL9517715 0.74 TRPA1 (0.34) ALDH1A1TRPA1TRPM8
SCHEMBL2989276 0.74 TRPA1 (0.34) ALDH1A1TRPA1TRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0224259-B1 A WORKING FLUID FOR TRACTION DRIVE IDEMITSU KOSAN COMPANY LIMITED (JP) 1993-02-10 EP disclosed
EP-0240814-B1 A WORKING FLUID FOR TRACTION DRIVE IDEMITSU KOSAN COMPANY LIMITED (JP) 1991-11-21 EP disclosed
US-4755317-A Decahydronaphthalene compound IDEMITSU KOSAN COMPANY LIMITED (JP) 1988-07-05 US disclosed
EP-0240814-A2 A working fluid for traction drive IDEMITSU KOSAN COMPANY LIMITED (JP) 1987-10-14 EP disclosed
US-4684754-A DECAHYDRONAPHTHALENE DERIVATIVES IDEMITSU KOSAN COMPANY LIMITED (JP) 1987-08-04 US disclosed
EP-0224259-A2 A working fluid for traction drive IDEMITSU KOSAN COMPANY LIMITED (JP) 1987-06-03 EP disclosed