SCHEMBL12449085

SCHEMBL12449085

C1CCC(N(CC2CC2)CC2CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.38
▸ ALOX5 P09917 4/20 0.37
▸ CYP2D6 P10635 3/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ SLC6A2 P23975 2/20 0.34
▸ SLC6A4 P31645 2/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ ADH1A P07327 5/20 0.33
▸ ADH1C P00326 3/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ PHGDH O43175 1/20 0.31
▸ ADH1B P00325 1/20 0.31
▸ ADH4 P08319 1/20 0.31
▸ ADH7 P40394 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
SCHEMBL24080142 0.97 LTA4H (0.36) LTA4HALOX5CYP2D6CYP2C9HSD17B10
SCHEMBL13082953 0.85 ADH1A (0.42) LTA4HALOX5TSHRSLC6A2SLC6A4
SCHEMBL9289339 0.82 ADH1A (0.46) LTA4HADH1AADH1CCYP1A2
SCHEMBL9283447 0.80 CYP1A2 (0.35) LTA4HCYP2D6CYP2C9HSD17B10TSHR
SCHEMBL18602764 0.79 ADH1C (0.35) LTA4HALOX5ADH1AADH1C
SCHEMBL13683429 0.77 CYP1A2 (0.33) LTA4HCYP2D6CYP2C9HSD17B10TSHR
SCHEMBL9290239 0.75 ADH1A (0.41) ADH1AADH1C
SCHEMBL12448946 0.74 — —
SCHEMBL26773083 0.74 — —
SCHEMBL13280102 0.74 ADRA1B (0.44) ALOX5CYP2D6SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019113780-A1 ULTRA-REMOVABLE AND SOLVENT RESISTANT PRESSURE-SENSITIVE ADHESIVES AVERY DENNISON CORPORATION (US) 2019-06-20 — — WO disclosed
WO-2019113781-A1 REMOVABLE PRESSURE-SENSITIVE ADHESIVES WITH HIGH PEEL STRENGTH AND REMOVABILITY AVERY DENNISON CORPORATION (US) 2019-06-20 — — WO disclosed
EP-1912949-B1 CYCLOHEXYLAMIN ISOQUINOLONE DERIVATIVES AS RHO-KINASE INHIBITORS SANOFI SA (FR) 2011-08-24 — — EP disclosed
Send feedback