SCHEMBL23797191

SCHEMBL23797191

CCCCCCCOCCCCCCCCCCN=C=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.47
MEN1 O00255 1/20 0.45
THRB P10828 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 1/20 0.45
CES2 O00748 2/20 0.42
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
USP2 O75604 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
TSHR P16473 2/20 0.35
CA1 P00915 5/20 0.35
CA2 P00918 5/20 0.35
CA9 Q16790 5/20 0.35
LPAR1 Q92633 2/20 0.35
LPAR3 Q9UBY5 2/20 0.35
LPAR2 Q9HBW0 1/20 0.35

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
SCHEMBL23797156 1.00 NAAA (0.47) NAAAMEN1THRBHTTKMT2A
SCHEMBL23797173 1.00 NAAA (0.47) NAAAMEN1THRBHTTKMT2A
SCHEMBL23797189 1.00 NAAA (0.47) NAAAMEN1THRBHTTKMT2A
SCHEMBL23797159 1.00 NAAA (0.47) NAAAMEN1THRBHTTKMT2A
SCHEMBL23797168 1.00 NAAA (0.47) NAAAMEN1THRBHTTKMT2A
SCHEMBL23797190 1.00 NAAA (0.47) NAAAMEN1THRBHTTKMT2A
SCHEMBL23797169 1.00 NAAA (0.47) NAAAMEN1THRBHTTKMT2A
SCHEMBL23797148 1.00 NAAA (0.47) NAAAMEN1THRBHTTKMT2A
SCHEMBL23797198 1.00 NAAA (0.47) NAAAMEN1THRBHTTKMT2A
SCHEMBL23797180 1.00 NAAA (0.47) NAAAMEN1THRBHTTKMT2A

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
EP-4118161-A1 USE OF SPECIFIC OPEN-CHAIN ETHER ISOCYANATES Covestro Deutschland AG (DE) 2023-01-18 EP disclosed
CN-115190904-A Use of specific open-chain ether isocyanates 科思创德国股份有限公司 2022-10-14 CN disclosed
WO-2021180709-A1 USE OF SPECIFIC OPEN-CHAIN ETHER ISOCYANATES COVESTRO DEUTSCHLAND AG (DE) 2021-09-16 WO disclosed
EP-3878914-A1 USE OF SPECIFIC OPEN-CHAIN ETHER ISOCYANATES Covestro Deutschland AG (DE) 2021-09-15 EP disclosed