SCHEMBL12830516

SCHEMBL12830516

CCC(C)(C)CC(C(=O)O)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.31
MAPK1 P28482 1/20 0.31
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HSPD1 P10809 1/20 0.30
BLM P54132 1/20 0.30
HSPE1 P61604 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
SCHEMBL14641726 0.84 CA2 (0.30) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL9883117 0.84 CA2 (0.30) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL12044154 0.83
SCHEMBL12473062 0.83 TDP1 (0.33) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL20341593 0.80
SCHEMBL10093713 0.80 CA1 (0.33) CA2
SCHEMBL14533583 0.79 CA2 (0.31) CA2MAPK1CHRM1AKR1A1CHRM3
SCHEMBL9055185 0.78 GRN (0.33) CA2MAPK1CHRM1ADRA1A
SCHEMBL18012241 0.77
SCHEMBL15259170 0.77 MMP8 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023210746-A1 POLYMER, CURABLE RESIN COMPOSITION, STRETCHABLE INSULATING CURED FILM OBTAINED BY CURING SAID COMPOSITION, INSULATING CURED FILM FOR TOUCH PANEL, TOUCH PANEL, INSULATING CURED FILM FOR FLEXIBLE PRINTED CIRCUIT BOARD, AND FLEXIBLE PRINTED CIRCUIT BOARD 大阪有機化学工業株式会社 2023-11-02 WO disclosed
US-20220390824-A1 PHOTORESPONSIVE COMPOUND Konica Minolta, Inc. (JP) 2022-12-08 US disclosed
US-8927184-B2 Method of producing electrophotographic photosensitive member CANON KABUSHIKI KAISHA (JP) 2015-01-06 US disclosed
US-20130244172-A1 METHOD OF PRODUCING ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER CANON KABUSHIKI KAISHA (JP) 2013-09-19 US disclosed
US-20130034812-A1 POLYMERIZABLE COMPOSITION FOR SOLDER RESIST, AND SOLDER RESIST PATTERN FORMATION METHOD FUJIFILM CORPORATION (JP) 2013-02-07 US disclosed
EP-2090625-A2 Aqueous inkjet recording ink FUJIFILM Corporation (JP) 2009-08-19 EP disclosed