SCHEMBL20183940

SCHEMBL20183940

CCCCOC(=O)C(C)=CCC(C)C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
ATM Q13315 1/20 0.44
TSHR P16473 4/20 0.43
HPGD P15428 2/20 0.42
HCAR2 Q8TDS4 3/20 0.40
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
NAAA Q02083 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPSR1 Q6W5P4 3/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 1/20 0.35
NPC1 O15118 1/20 0.35
RAD52 P43351 1/20 0.34
FAAH O00519 1/20 0.34
ESR1 P03372 1/20 0.34

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
SCHEMBL2985786 0.95 TSHR (0.50) ALDH1A1ATMTSHRHCAR2LMNA
SCHEMBL28391884 0.89 HCAR2 (0.36) ALDH1A1ATMTSHRHCAR2LMNA
SCHEMBL16826968 0.87 ALDH1A1 (0.44) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL28865014 0.87 ALDH1A1 (0.44) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL16826969 0.87 ALDH1A1 (0.44) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL11055770 0.86 GRIK1 (0.33) ALDH1A1TSHR
SCHEMBL15913491 0.84 ATM (0.46) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL21638766 0.84 TSHR (0.54) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL20269177 0.83 ALDH1A1 (0.44) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL27563042 0.82 TSHR (0.35) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105997951-B A kind of transdermal drug delivery system and preparation method comprising Rivastigmine 润和生物医药科技(汕头)有限公司 2019-08-09 CN disclosed
EP-3389809-A1 COLUMN FOR THERMALLY TREATING FLUID MIXTURES BASF SE (DE) 2018-10-24 EP disclosed
EP-3325121-A1 COLUMN FOR THERMALLY TREATING FLUID MIXTURES, PARTICULARLY THOSE THAT CONTAIN (METH)ACRYLIC MONOMERS BASF SE (DE) 2018-05-30 EP disclosed
EP-3325122-A1 COLUMN FOR THERMALLY TREATING FLUID MIXTURES, PARTICULARLY THOSE THAT CONTAIN (METH)ACRYLIC MONOMERS BASF SE (DE) 2018-05-30 EP disclosed
CN-105997951-A Cutaneous penetration system containing rivastigmine and preparation method 润和生物医药科技(汕头)有限公司 2016-10-12 CN disclosed