SCHEMBL28879749

SCHEMBL28879749

CC(=O)OOC1CCCCC1.[NaH]

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.38
NAAA Q02083 2/20 0.35
HTT P42858 1/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
CYP2C19 P33261 1/20 0.32
ACHE P22303 1/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
CYP19A1 P11511 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
STS P08842 2/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL21381 0.98 EPHX1 (0.39) EPHX1NAAAHTTCES2CES1
SCHEMBL7649410 0.95 EPHX1 (0.36) EPHX1NAAAHTTCES2CES1
SCHEMBL7653162 0.91
SCHEMBL2593265 0.85
SCHEMBL22733772 0.78 EPHX1 (0.40) EPHX1NAAAHTTCES2CES1
SCHEMBL9639063 0.77 ALDH1A1 (0.38) EPHX1NAAAHTTCES2CES1
SCHEMBL7106072 0.76 EPHX1 (0.39) EPHX1NAAAHTTCES2CES1
SCHEMBL6507671 0.76 EPHX1 (0.39) EPHX1NAAAHTTCES2CES1
SCHEMBL9577101 0.76 EPHX1 (0.50) EPHX1NAAAHTTCYP2C19CA1
SCHEMBL7015517 0.76 EPHX1 (0.43) EPHX1NAAAHTTCES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107915627-B Method for synthesizing cyclohexyloxy allyl acetate by one-pot method 昆山亚香香料股份有限公司 2022-04-22 CN claimed
CN-110551022-A Method for synthesizing high-content cyclic galbanum ester spice ANHUI HYEA AROMAS CO LTD 2019-12-10 CN claimed
CN-107915627-B Method for synthesizing cyclohexyloxy allyl acetate by one-pot method 昆山亚香香料股份有限公司 2022-04-22 CN disclosed
CN-210885877-U Production device for high-content cyclic galbanum ester synthetic perfume 安徽华业香料股份有限公司 2020-06-30 CN disclosed
CN-110668938-A Production device and method for high-content cyclic galbanum ester synthetic perfume 安徽华业香料股份有限公司 2020-01-10 CN disclosed
CN-110551022-A Method for synthesizing high-content cyclic galbanum ester spice ANHUI HYEA AROMAS CO LTD 2019-12-10 CN disclosed