SCHEMBL28181464

SCHEMBL28181464

COc1cccc(C)c1OC.NC(=O)CCCCC(N)=O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ NFE2L2 Q16236 2/20 0.44
▸ HPGD P15428 2/20 0.43
▸ PTPN1 P18031 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41

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
Bicarbonate SCHEMBL27404233 0.83 CA12 (0.53) SMN1; SMN2NFE2L2HPGDPTPN1ATM
SCHEMBL134856 0.80 SMN1; SMN2 (0.52) SMN1; SMN2NFE2L2HPGDKDM4EALDH1A1
SCHEMBL4687876 0.79 HDAC1 (0.47) SMN1; SMN2HPGDL3MBTL1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL28264941 0.78 SMN1; SMN2 (0.50) SMN1; SMN2NFE2L2HPGDKDM4EALDH1A1
SCHEMBL4684928 0.77 CA12 (0.55) SMN1; SMN2NFE2L2ATMALDH1A1LMNA
SCHEMBL11636205 0.76 NPC1 (0.50) SMN1; SMN2HPGDATML3MBTL1KDM4E
Acetamide SCHEMBL9643066 0.75 NFE2L2 (0.53) SMN1; SMN2NFE2L2HPGDKDM4EALDH1A1
O-Xylene SCHEMBL746837 0.74 TSHR (0.48) HPGDL3MBTL1KDM4EALDH1A1LMNA
SCHEMBL5723903 0.74 MTNR1A (0.48) SMN1; SMN2HPGDL3MBTL1KDM4EALDH1A1
SCHEMBL1032325 0.73 CA12 (0.50) SMN1; SMN2NFE2L2ATML3MBTL1ALDH1A1

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-104837926-B Thermoplastic resin composition for radome LG化学株式会社 2017-10-13 — — CN disclosed
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