SCHEMBL27887115

SCHEMBL27887115

CCOC(OCC)C(C)CCC=C(C)C

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.37
SRC P12931 1/20 0.33
KMT2A Q03164 1/20 0.31
USP2 O75604 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 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
SCHEMBL11689424 0.79 ALOX15 (0.47) ALOX15ALDH1A1TSHRSRCKMT2A
SCHEMBL3974577 0.78 ALOX15 (0.43) ALOX15ALDH1A1TSHRLMNAUSP2
SCHEMBL5702817 0.73 LMNA (0.33) LMNA
SCHEMBL1491220 0.73 ALOX15 (0.50) ALOX15ALDH1A1TSHRLMNASRC
SCHEMBL873103 0.72 ALOX15 (0.57) ALOX15ALDH1A1TSHRLMNAUSP2
SCHEMBL11868741 0.72 ALOX15 (0.52) ALOX15ALDH1A1TSHRSRCKMT2A
SCHEMBL12027362 0.71 ALOX15 (0.47) ALOX15ALDH1A1TSHRSRCKMT2A
SCHEMBL2012976 0.71 ALOX15 (0.42) ALOX15ALDH1A1TSHRSRCUSP2
SCHEMBL8967234 0.70 ALOX15 (0.50) ALOX15ALDH1A1TSHRSRCKMT2A
SCHEMBL22111231 0.70 ALOX15 (0.56) ALOX15ALDH1A1TSHRSRCKMT2A

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
CN-102863318-A Synthetic method of 2,6-dimethyl-5-heptenal diethyl acetal TIANNING FLAVOR & FRAGRANCE JIANGSU CO LTD 2013-01-09 CN disclosed
CN-102863318-A Synthetic method of 2,6-dimethyl-5-heptenal diethyl acetal TIANNING FLAVOR & FRAGRANCE JIANGSU CO LTD 2013-01-09 CN disclosed