SCHEMBL28026472

SCHEMBL28026472

Oc1ccc(C2(C3CCCC3)CCCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 4/20 0.52
ESR1 P03372 2/20 0.52
SLC6A2 P23975 9/20 0.44
SLC6A4 P31645 9/20 0.44
SLC6A3 Q01959 9/20 0.44
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
CYP3A4 P08684 4/20 0.40
CYP2D6 P10635 4/20 0.40
KCNH2 Q12809 4/20 0.40
CYP1A1 P04798 3/20 0.40
CYP1A2 P05177 3/20 0.40
CYP2C19 P33261 1/20 0.39

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
SCHEMBL22500142 0.98 ESR2 (0.53) ESR2ESR1SLC6A2SLC6A4SLC6A3
SCHEMBL22534433 0.80 ESR2 (0.43) ESR2ESR1SLC6A2SLC6A4SLC6A3
SCHEMBL22534430 0.80 ESR2 (0.40) ESR2ESR1SLC6A2SLC6A4SLC6A3
SCHEMBL58980 0.78 SLC6A2 (0.62) SLC6A2SLC6A4SLC6A3
SCHEMBL3796564 0.77 SLC6A4 (0.41) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL1819045 0.76 SLC6A4 (0.44) SLC6A2SLC6A4SLC6A3OPRM1OPRD1
SCHEMBL9644216 0.74 SLC6A4 (0.42) SLC6A2SLC6A4SLC6A3OPRM1OPRD1
SCHEMBL1921109 0.74 SLC6A4 (0.42) SLC6A2SLC6A4SLC6A3OPRM1OPRD1
Acetic Acid SCHEMBL13735750 0.74 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL10634800 0.74 SLC6A4 (0.40) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103635316-B Weatherable layer press mold and image display device 捷恩智株式会社 2016-10-19 CN disclosed
CN-103034052-B Photosensitive resin composition, cured film thereof, and printed wiring board TAIYO INK MFG. Co.,Ltd. (JP) 2015-09-09 CN disclosed
CN-103034054-B Photosensitive polymer combination, its cured film and printed circuit board (PCB) TAIYO INK MANUFACTURING CO., LTD. (JP) 2015-08-05 CN disclosed
CN-103034053-B Photosensitive resin composition, cured film thereof, and printed wiring board TAIYO INK MFG. Co.,Ltd. (JP) 2015-08-05 CN disclosed