SCHEMBL4771052

SCHEMBL4771052

CCCCCC(O)CCC1C(C)CCCC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 4/20 0.35
TBXA2R P21731 1/20 0.35
PTGFR P43088 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
FFAR1 O14842 1/20 0.34
PTGER4 P35408 3/20 0.33
PTGER3 P43115 3/20 0.33
NFKB1 P19838 1/20 0.33
DAGLA Q9Y4D2 1/20 0.33
GPR84 Q9NQS5 5/20 0.33
EPHX2 P34913 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 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
SCHEMBL7933164 0.96 TBXA2R (0.31) PTGER2TBXA2RPTGFR
SCHEMBL7933166 0.96 TBXA2R (0.31) PTGER2TBXA2RPTGFR
SCHEMBL20591022 0.90
SCHEMBL4660799 0.90
SCHEMBL4660796 0.90
SCHEMBL24425869 0.90
SCHEMBL21952975 0.90
SCHEMBL21952799 0.90
SCHEMBL20591035 0.90
SCHEMBL18952206 0.90

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1053988-B1 TRIMETHYLCYCLOHEXANE DERIVATIVES AND MELANIN-FORMATION INHIBITORS AND PERFUME-HOLDING AGENTS WITH THE USE OF THE SAME TAKASAGO PERFUMERY CO LTD (JP) 2008-12-31 EP disclosed
US-6440400-B1 1-(2',2',6'-TRIMETHYLCYCLOHEXAN-1'-YL)OCTAN-1-EN-3-ONE OR -3-OL; SKIN PROTECTION FROM ULTRAVIOLET RADIATION AND SUBSEQUENT SUNBURN; FRAGRANCE FIXATIVE; STABLE; SAFE; EFFICIENT; ODORLESS TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-08-27 US disclosed
EP-1053988-A1 TRIMETHYLCYCLOHEXANE DERIVATIVES AND MELANIN-FORMATION INHIBITORS AND PERFUME-HOLDING AGENTS WITH THE USE OF THE SAME Takasago International Corporation (JP) 2000-11-22 EP disclosed