SCHEMBL4742989

SCHEMBL4742989

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.47
CA1 P00915 5/20 0.47
TDP1 Q9NUW8 2/20 0.44
CHRM1 P11229 1/20 0.44
AKR1A1 P14550 1/20 0.44
CHRM3 P20309 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
ADRA1A P35348 1/20 0.44
HRH1 P35367 1/20 0.44
DRD3 P35462 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
TSHR P16473 3/20 0.43
CYP3A4 P08684 2/20 0.43
NFKB1 P19838 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HDAC7 Q8WUI4 1/20 0.40
HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL28875767 0.91 TDP1 (0.48) CA2CA1TDP1CHRM1AKR1A1
SCHEMBL28420933 0.88 CA2 (0.64) CA2CA1SLC1A3SLC1A2SLC1A1
SCHEMBL8446634 0.86 CA2 (0.43) CA2CA1TDP1TSHRSLC1A3
SCHEMBL16245163 0.86 CA2 (0.57) CA2CA1SLC1A3SLC1A2SLC1A1
SCHEMBL30543254 0.84 CA2 (0.55) CA2CA1SLC1A2SLC1A1GRIK1
SCHEMBL15846226 0.82 CA2 (0.47) CA2CA1MAPK1
SCHEMBL12003248 0.82 TDP1 (0.40) CA2CA1TDP1CHRM1AKR1A1
SCHEMBL8356426 0.80 HDAC1 (0.46) CA2CA1TDP1CHRM1AKR1A1
SCHEMBL28255519 0.80 CA2 (0.39) CA2CA1TDP1TSHRSLC1A3
SCHEMBL651077 0.80 CHRM1 (0.52) CA2CA1TDP1CHRM1AKR1A1

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
CN-115135307-A Carrier for cell delivery 株式会社ITO 2022-09-30 CN claimed
US-11492432-B2 Resin for nanoimprinting, laminate containing resin for nanoimprinting, printed board containing resin for nanoimprinting, and method for producing nanoimprint substrate JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2022-11-08 US disclosed
CN-115135307-A Carrier for cell delivery 株式会社ITO 2022-09-30 CN disclosed
US-20200223125-A1 RESIN FOR NANOIMPRINTING, LAMINATE CONTAINING RESIN FOR NANOIMPRINTING, PRINTED BOARD CONTAINING RESIN FOR NANOIMPRINTING, AND METHOD FOR PRODUCING NANOIMPRINT SUBSTRATE JAPAN SCIENCE & TECH AGENCY (JP) 2020-07-16 US disclosed
US-20150298387-A1 RESIN FOR NANOIMPRINTING, LAMINATE CONTAINING RESIN FOR NANOIMPRINTING, PRINTED BOARD CONTAINING RESIN FOR NANOIMPRINTING, AND METHOD FOR PRODUCING NANOIMPRINT SUBSTRATE JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2015-10-22 US disclosed
WO-2008108859-A1 BIOCOMPATIBLE, SURFACE MODIFIED MATERIALS BAUSCH & LOMB INCORPORATED (US) 2008-09-12 WO disclosed