SCHEMBL6679062

SCHEMBL6679062

CCCCCCCC(Br)c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2C9 P11712 1/20 0.50
KDM4E B2RXH2 4/20 0.44
KMT2A Q03164 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC6A4 P31645 1/20 0.41
KCNH2 Q12809 1/20 0.40
NPC1 O15118 3/20 0.38
GAA P10253 3/20 0.38
HTT P42858 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 1/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL6684956 1.00 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C19CYP2C9KDM4E
SCHEMBL6680895 0.98 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP2C19CYP2C9KDM4E
SCHEMBL6686055 0.93 ALDH1A1 (0.53) ALDH1A1CYP1A2CYP2C19CYP2C9KMT2A
SCHEMBL6680290 0.86 ALDH1A1 (0.57) ALDH1A1CYP1A2CYP2C19CYP2C9KMT2A
SCHEMBL16177520 0.84 PRSS1 (0.41) ALDH1A1KMT2AKCNH2HTTSMN1; SMN2
SCHEMBL16177697 0.84 PRSS1 (0.41) ALDH1A1KMT2AKCNH2HTTSMN1; SMN2
SCHEMBL15353192 0.84 KDM4E (0.47) ALDH1A1CYP1A2CYP2C19CYP2C9KDM4E
SCHEMBL15352972 0.84 KDM4E (0.47) ALDH1A1CYP1A2CYP2C19CYP2C9KDM4E
SCHEMBL10580858 0.83 KDM4E (0.46) ALDH1A1CYP1A2CYP2C19CYP2C9KDM4E
SCHEMBL10580574 0.83 KDM4E (0.46) ALDH1A1CYP1A2CYP2C19CYP2C9KDM4E

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-116496313-A Preparation method of chemical synthesis type high-temperature heat conduction oil 山东欧孚润滑科技有限公司 2023-07-28 CN claimed
CN-116496313-A Preparation method of chemical synthesis type high-temperature heat conduction oil 山东欧孚润滑科技有限公司 2023-07-28 CN disclosed
CN-116496313-A Preparation method of chemical synthesis type high-temperature heat conduction oil 山东欧孚润滑科技有限公司 2023-07-28 CN disclosed
EP-0985649-B1 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES (JP) 2004-11-24 EP disclosed
US-6462248-B1 THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS TORAY INDUSTRIES, INC. (JP) 2002-10-08 US disclosed
EP-0985649-A2 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES, INC. (JP) 2000-03-15 EP disclosed