SCHEMBL23358282

SCHEMBL23358282

CC1(C)C2CCC1(C)C(C1CCCCC1(O)C1CC3CCC1(C)C3(C)C)C2

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.36
ATP1A1 P05023 1/20 0.32
ATP1B1 P05026 1/20 0.32
ATP1A3 P13637 1/20 0.32
ATP1B2 P14415 1/20 0.32
ATP1A2 P50993 1/20 0.32
ATP1B3 P54709 1/20 0.32
FXYD2 P54710 1/20 0.32
ATP1A4 Q13733 1/20 0.32
EPHX2 P34913 2/20 0.31
GAA P10253 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL16242623 0.81 EPHX2 (0.34) HSD17B10ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL30184983 0.76 EPHX2 (0.40) EPHX2GAAALDH1A1
SCHEMBL2020515 0.76 KMT2A (0.32) EPHX2GAAALDH1A1
SCHEMBL295710 0.74 EPHX2 (0.36) EPHX2GAAALDH1A1
SCHEMBL28720361 0.70 GAA (0.36) EPHX2GAAALDH1A1
SCHEMBL27171589 0.70 GAA (0.36) EPHX2GAAALDH1A1
SCHEMBL3205986 0.68 EPHX2 (0.34) EPHX2GAAALDH1A1
SCHEMBL8996485 0.66 EPHX2 (0.38) EPHX2GAAALDH1A1
SCHEMBL17633433 0.64 EPHX2 (0.36) EPHX2ALDH1A1
SCHEMBL1774430 0.64 EPHX2 (0.36) EPHX2ALDH1A1

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-115812710-A Insect repellent composition comprising one or more insect repellent fatty acids having 9 to 21 carbon atoms 长荣置地有限公司 2023-03-21 CN disclosed
US-20210144995-A1 INSECT REPELLENT COMPOSITION COMPRISING ONE OR MORE INSECT REPELLENT FATTY ACID(S) HAVING BETWEEN 9 AND 21 CARBON ATOMS EVERGREEN LAND LIMITED (CN) 2021-05-20 US disclosed