SCHEMBL14453098

SCHEMBL14453098

CCCC(C(N)=O)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.45
CA1 P00915 3/20 0.45
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
CHRM1 P11229 1/20 0.37
AKR1A1 P14550 1/20 0.37
CHRM3 P20309 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37
DRD3 P35462 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP3A4 P08684 2/20 0.36
TSHR P16473 2/20 0.36

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
SCHEMBL21575128 1.00 CA2 (0.45) CA2CA1CA7CA14CA12
SCHEMBL14673696 0.84 CA2 (0.43) CA2CA1CA7CA14CA12
SCHEMBL20099076 0.83 CA2 (0.48) CA2CA1SLC1A2SLC1A1GRIK1
SCHEMBL12015441 0.82 CA2 (0.42) CA2CA1CA7CA14CA12
SCHEMBL13929035 0.81 CA2 (0.47) CA2CA1CA7CA14CA12
SCHEMBL5571533 0.80 CA2 (0.41) CA2CA1CA7CA14CA12
SCHEMBL8526815 0.80 CA1 (0.43) CA2CA1CA7CA14CA12
SCHEMBL277765 0.80 CA1 (0.43) CA2CA1CA7CA14CA12
SCHEMBL21295111 0.79 CA1 (0.39) CA2CA1CA7CA14CA12
SCHEMBL28745205 0.79 CA1 (0.34) CA2CA1

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
EP-3824790-B1 INSERTION AID TUBE COMPOSITION, INSERTION AID TUBE, ENDOSCOPE/INSERTION AID TUBE SET, ENDOSCOPE DEVICE, AND METHOD FOR PRODUCING INSERTION AID TUBE FUJIFILM CORP (JP) 2023-10-11 EP disclosed
WO-2017099532-A1 COLOR-CONVERSION PHOTONIC CRYSTAL STRUCTURE AND COLOR-CONVERSION PHOTONIC CRYSTAL SENSOR USING SAME 한국화학연구원 2017-06-15 WO disclosed
US-7261875-B2 Dendritic poly (amino acid) carriers and methods of use BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-08-28 US disclosed