SCHEMBL6580280

SCHEMBL6580280

Cc1cccc(C)c1NC(C)OC(C)Nc1c(C)cccc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ESR1 P03372 1/20 0.37
SCN4A P35499 5/20 0.35
CYP1A2 P05177 2/20 0.35
LMNA P02545 2/20 0.35
SCN1A P35498 2/20 0.35
SCN5A Q14524 2/20 0.35
SCN9A Q15858 2/20 0.35
TSHR P16473 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
NFKB1 P19838 1/20 0.35
KCNK3 O14649 1/20 0.35
CACNA1F O60840 1/20 0.35
KCNK2 O95069 1/20 0.35
GBA1 P04062 1/20 0.35
MAOA P21397 1/20 0.35
HTR2A P28223 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
SCHEMBL11425408 0.79 ALDH1A1 (0.38) ALDH1A1L3MBTL1MAPK1
SCHEMBL11170832 0.78 CYP1A2 (0.39) ALDH1A1L3MBTL1SCN4ACYP1A2LMNA
SCHEMBL10037103 0.78 TDP1 (0.44) ALDH1A1L3MBTL1CYP1A2LMNATSHR
SCHEMBL11174052 0.78 CYP1A2 (0.39) ALDH1A1L3MBTL1SCN4ACYP1A2LMNA
Hydrochloric Acid SCHEMBL5671508 0.76 TDP1 (0.42) ALDH1A1L3MBTL1CYP1A2LMNASCN1A
SCHEMBL6579678 0.76 GABRA1 (0.43) CYP1A2LMNATSHRCYP3A4HTR2B
SCHEMBL6882581 0.75 KDM4E (0.45) ALDH1A1SCN4ACYP1A2LMNASCN1A
SCHEMBL8012133 0.75 KDM4E (0.45) ALDH1A1SCN4ACYP1A2LMNASCN1A
SCHEMBL4975113 0.75 KDM4E (0.45) ALDH1A1SCN4ACYP1A2LMNASCN1A
SCHEMBL1004808 0.74 ALDH1A1 (0.40) ALDH1A1L3MBTL1SCN4ACYP1A2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1080084-B1 PROCESS FOR EPOXIDATION OF ARYL ALLYL ETHERS DOW GLOBAL TECHNOLOGIES INC (US) 2004-05-06 EP disclosed
CN-1303382-A Epoxidation process for aryl allyl ethers DOW CHEMICAL CO (US) 2001-07-11 CN disclosed