SCHEMBL27980943

SCHEMBL27980943

CCCC1(Oc2ccccc2O)CCCCC1C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
TP53 P04637 1/20 0.33
ALDH1A1 P00352 4/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 3/20 0.32
MAPT P10636 2/20 0.32
JAK2 O60674 1/20 0.32
GAA P10253 1/20 0.32
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
APP P05067 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
SCHEMBL1836363 0.78 SLC6A4 (0.35) TSHRCA1CA2TP53ALDH1A1
SCHEMBL1836355 0.77 CA1 (0.39) TSHRCA1CA2TP53ALDH1A1
SCHEMBL1834746 0.77 TSHR (0.34) TSHRCA1CA2TP53ALDH1A1
SCHEMBL1839709 0.75 CA1 (0.39) TSHRCA1CA2TP53LMNA
SCHEMBL16059965 0.72 ESR1 (0.35) TSHRCA1CA2TP53KDM4E
SCHEMBL1835531 0.70 CETP (0.39) TSHRCA1CA2TP53LMNA
SCHEMBL1839605 0.69 TP53 (0.42) TSHRCA1CA2TP53ALDH1A1
SCHEMBL1839452 0.69 CETP (0.39) TSHRCA1CA2TP53LMNA
SCHEMBL1838322 0.68 CA1 (0.41) TSHRCA1CA2TP53ALDH1A1
SCHEMBL1835903 0.68 SLC6A4 (0.37) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102471244-B Process for producing N-substituted carbamate, process for producing isocyanate using the N-substituted carbamate, and composition for transporting and storing N-substituted carbamate containing N-substituted carbamate and aromatic hydroxy compound ASAHI CHEMICAL CORP 2014-09-24 CN disclosed