SCHEMBL4924852

SCHEMBL4924852

CCC(C)(C)OC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
TSHR P16473 1/20 0.38
HDAC6 Q9UBN7 2/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
ELANE P08246 1/20 0.35
DGAT1 O75907 1/20 0.34
CA1 P00915 2/20 0.32
CA7 P43166 2/20 0.32
CA12 O43570 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA2 P00918 1/20 0.31
GAA P10253 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
SCHEMBL475144 0.92 TSHR (0.43) ALDH1A1TDP1TSHRGAA
SCHEMBL13942557 0.91 SOAT1 (0.37) ALDH1A1TDP1TSHRHDAC6HDAC1
SCHEMBL14494753 0.83 ALDH1A1 (0.36) ALDH1A1TDP1TSHR
SCHEMBL47990 0.82 SOAT1 (0.42) ALDH1A1TDP1TSHRGAA
SCHEMBL16738135 0.82 ALDH1A1 (0.39) ALDH1A1TDP1TSHRGAA
SCHEMBL25017912 0.81 ALDH1A1 (0.35) ALDH1A1TDP1TSHR
SCHEMBL19010236 0.81 LMNA (0.36) ALDH1A1TDP1TSHRELANEGAA
SCHEMBL29121 0.81 DGAT1 (0.46) ALDH1A1TDP1TSHRHDAC6HDAC1
SCHEMBL766245 0.80 TDP1 (0.38) ALDH1A1TDP1TSHRDGAT1CA1
SCHEMBL5136986 0.80 TSHR (0.38) ALDH1A1TDP1TSHRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080161394-A1 Cosmetic composition comprising at least one volatile carbonic acid ester L'OREAL S.A. (FR) 2008-07-03 US disclosed