SCHEMBL6771437

SCHEMBL6771437

CC1C2CCC(C2)C1C(OC(=O)CCC(=O)OC(C1C2CCC(C2)C1C)C1C2CCC(C2)C1C)C1C2CCC(C2)C1C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
EPHX2 P34913 3/20 0.33
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
NISCH Q9Y2I1 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
PRKCA P17252 3/20 0.30
ALDH1A1 P00352 1/20 0.30
NAAA Q02083 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
SCHEMBL3001801 0.94 LMNA (0.34) LMNAEPHX2CYP1A2TSHRALDH1A1
SCHEMBL6770295 0.90 MEN1 (0.32) LMNAEPHX2MEN1CYP1A2CYP3A4
SCHEMBL2994372 0.85 MEN1 (0.30) MEN1CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL6767395 0.78 MEN1 (0.32) MEN1CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL6771938 0.78
SCHEMBL6767392 0.74
SCHEMBL3001055 0.74 TRPM8 (0.31) ALDH1A1
SCHEMBL6771935 0.74
SCHEMBL6771305 0.68 ALDH1A1 (0.39) LMNAALDH1A1
SCHEMBL8466088 0.68 LMNA (0.37) LMNAEPHX2MAPTMAPK1PRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6797680-B2 NON-TOXIC TO HUMANS AND POSSES A NON- OFFENSIVE ODOR, WHILE ALSO BEING INEXPENSIVE TO MANUFACTURE GENERAL MOTORS CORPORATION 2004-09-28 US claimed
US-20040152607-A1 TRACTION FLUID WITH DI-ACID ESTER BRIDGED DIMER GM Global Technology Operations LLC 2004-08-05 US claimed