SCHEMBL28071759

SCHEMBL28071759

CC(C)C1(O)CCC(C)(c2ccccc2)C(c2ccccc2)(c2ccccc2)C1(C)C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 9/20 0.36
▸ OPRK1 P41145 8/20 0.36
▸ OPRL1 P41146 8/20 0.36
▸ OPRD1 P41143 6/20 0.36
▸ CYP2D6 P10635 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.32
▸ MMP1 P03956 1/20 0.31
▸ MMP2 P08253 1/20 0.31
▸ MMP9 P14780 1/20 0.31
▸ GRIN2D O15399 1/20 0.31
▸ GRIN3B O60391 1/20 0.31
▸ GRIN1 Q05586 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ GRIN2A Q12879 1/20 0.31
▸ GRIN2B Q13224 1/20 0.31
▸ GRIN2C Q14957 1/20 0.31
▸ GRIN3A Q8TCU5 1/20 0.31
▸ CYP1A2 P05177 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
SCHEMBL27598712 0.89 OPRM1 (0.36) OPRM1OPRK1OPRL1OPRD1CYP2D6
SCHEMBL28287428 0.86 CYP2D6 (0.35) OPRM1OPRK1OPRL1OPRD1CYP2D6
SCHEMBL28208193 0.72 CCR2 (0.33) OPRM1OPRK1OPRL1OPRD1
SCHEMBL30312220 0.71 OPRM1 (0.50) OPRM1OPRK1OPRL1ALDH1A1
SCHEMBL16880857 0.68 AKR1C1 (0.42) OPRM1OPRK1OPRL1OPRD1CYP2D6
SCHEMBL27550506 0.68 CCR2 (0.34) OPRM1
SCHEMBL16880433 0.67 OPRM1 (0.39) OPRM1OPRK1OPRL1OPRD1CYP2D6
SCHEMBL28208190 0.66 OPRL1 (0.34) OPRM1OPRK1OPRL1CYP2D6
SCHEMBL28220933 0.64 OPRL1 (0.35) OPRL1CYP2D6
SCHEMBL8611829 0.63 OPRM1 (0.40) OPRM1OPRK1OPRL1ALDH1A1

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-105778496-A Scratching-proof PE-RT heating pipe through low temperature radiation of far infrared rays 刘志光 2016-07-20 — — CN claimed
CN-105778496-A Scratching-proof PE-RT heating pipe through low temperature radiation of far infrared rays 刘志光 2016-07-20 — — CN disclosed
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