SCHEMBL6248683

SCHEMBL6248683

COc1c(C(C)(C)C)cc(P(CCP(c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)cc1C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.45
PTGS1 P23219 2/20 0.41
DHFR P00374 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TNFRSF1A P19438 2/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
HTR2A P28223 1/20 0.33
ADRA2A P08913 1/20 0.31
ADRA2C P18825 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31

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
SCHEMBL7643671 0.94 PTGS2 (0.41) PTGS2PTGS1DHFRALDH1A1TSHR
SCHEMBL6251032 0.92 PTGS2 (0.42) PTGS2PTGS1DHFRALDH1A1TSHR
SCHEMBL6251710 0.92 PTGS2 (0.42) PTGS2PTGS1DHFRALDH1A1TSHR
SCHEMBL6248191 0.91 PTGS2 (0.41) PTGS2PTGS1DHFRALDH1A1TSHR
SCHEMBL6249562 0.91 PTGS2 (0.41) PTGS2PTGS1DHFRALDH1A1TSHR
SCHEMBL6246978 0.91 PTGS2 (0.41) PTGS2PTGS1DHFRALDH1A1TSHR
SCHEMBL7638931 0.88 PTGS2 (0.45) PTGS2PTGS1DHFRALDH1A1TSHR
SCHEMBL4457970 0.81 PTGS2 (0.44) PTGS2PTGS1DHFRALDH1A1TSHR
SCHEMBL14542318 0.79 PTGS2 (0.46) PTGS2PTGS1DHFRALDH1A1TSHR
SCHEMBL1305157 0.79 PTGS2 (0.43) PTGS2PTGS1DHFRALDH1A1TSHR

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-1153908-B1 Method for producing 1-menthol TAKASAGO PERFUMERY CO LTD (JP) 2005-08-24 EP disclosed
US-6342644-B1 MULTISTAGE PROCESS OF HYDROGENATION WITH PHOSPHINE COMPLEX TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-01-29 US disclosed
EP-1153908-A2 Method for producing 1-menthol Takasago International Corporation (JP) 2001-11-14 EP disclosed