SCHEMBL10522397

SCHEMBL10522397

CCc1cc(OC)cc(CC)c1N

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
HTT P42858 1/20 0.47
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.41
TAAR1 Q96RJ0 4/20 0.41
CYP19A1 P11511 1/20 0.39
KMT2A Q03164 2/20 0.38
IDO1 P14902 2/20 0.38
ADRA1A P35348 1/20 0.38
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
G6PD P11413 1/20 0.38
PKM P14618 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL832729 0.83 HTT (0.48) POLBHTTALDH1A1TAAR1KMT2A
SCHEMBL28559307 0.82 CYP1A2 (0.43) ALDH1A1CYP1A2TAAR1CYP19A1IDO1
SCHEMBL23469173 0.81 KCNH2 (0.41) POLBHTTALDH1A1CYP1A2TAAR1
SCHEMBL29201192 0.79 HTT (0.45) POLBHTTALDH1A1TAAR1MAPT
SCHEMBL28919511 0.79 TSHR (0.46) POLBHTTALDH1A1KMT2AMAPK1
SCHEMBL28919516 0.79 PTGS2 (0.43) ALDH1A1CYP1A2TAAR1CYP19A1ADRA1A
SCHEMBL2945602 0.78 ALDH1A1 (0.48) POLBALDH1A1CYP1A2TAAR1KMT2A
SCHEMBL28069209 0.77 LTA4H (0.52) POLBHTTALDH1A1TAAR1IDO1
SCHEMBL5078639 0.76 GABRA1 (0.46) POLBALDH1A1CYP1A2KMT2AKDM4E
SCHEMBL10477357 0.76 ALDH1A1 (0.46) POLBALDH1A1CYP1A2TAAR1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1272559-A None JP disclosed
CN-107207983-B Use of a lubricating composition 国际壳牌研究有限公司 2022-11-18 CN disclosed
JP-H01272559-A 2,6-DIETHYLANILINE DERIVATIVE AND PRODUCTION THEREOF DAICEL CHEM IND LTD 1989-10-31 JP disclosed