SCHEMBL29273685

SCHEMBL29273685

CCCC1CCC(OC[C@H]2CC[C@H](CCC)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSK P43235 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.32
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 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
SCHEMBL11257958 1.00 JAK2 (0.33) JAK2JAK1CTSLCTSBCTSK
SCHEMBL11257950 1.00 JAK2 (0.33) JAK2JAK1CTSLCTSBCTSK
SCHEMBL8961332 0.94 TLR4 (0.34) JAK2JAK1CTSLCTSBCTSK
SCHEMBL31011227 0.94 TLR4 (0.34) JAK2JAK1CTSLCTSBCTSK
SCHEMBL8961330 0.94 TLR4 (0.34) JAK2JAK1CTSLCTSBCTSK
SCHEMBL14365576 0.94 TLR4 (0.34) JAK2JAK1CTSLCTSBCTSK
SCHEMBL13433647 0.94 TLR4 (0.34) JAK2JAK1CTSLCTSBCTSK
SCHEMBL11266225 0.92 HCRTR2 (0.31) JAK2JAK1CTSLCTSBCTSK
SCHEMBL29273683 0.92 CYP1A2 (0.47) JAK2JAK1CTSLCTSBCTSK
SCHEMBL11266221 0.92 HCRTR2 (0.31) JAK2JAK1CTSLCTSBCTSK

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-118206434-B Preparation method of alkyl (alkyl cyclohexyl methoxy) cyclohexane 中节能万润股份有限公司 2024-07-23 CN disclosed
CN-118206434-A Preparation method of alkyl (alkyl cyclohexyl methoxy) cyclohexane 中节能万润股份有限公司 2024-06-18 CN disclosed