SCHEMBL28501660

SCHEMBL28501660

CCCCC(CC)N(C)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
ALOX12 P18054 1/20 0.38
CRHBP P24387 1/20 0.38
HTT P42858 1/20 0.38
CRHR2 Q13324 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 3/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
HTR2A P28223 2/20 0.35
HRH1 P35367 2/20 0.35
CNR2 P34972 1/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL26050184 0.85 CSNK1E (0.41) NPSR1SLC6A2SLC6A4ALDH1A1HTR2A
SCHEMBL20878111 0.84 SLC6A2 (0.43) MAPTHTTSLC6A2SLC6A4ALDH1A1
SCHEMBL27712582 0.84 CSNK1E (0.37) MAPTGAAALOX12CRHBPHTT
SCHEMBL14565879 0.83 AOC3 (0.36) MAPTGAAALOX12CRHBPHTT
SCHEMBL14541283 0.80 MAPT (0.41) MAPTGAAALOX12CRHBPHTT
SCHEMBL27415380 0.80 MAPT (0.37) MAPTGAAALOX12CRHBPHTT
SCHEMBL2258445 0.79 SIGMAR1 (0.39) MAPTGAAALOX12CRHBPHTT
SCHEMBL8436010 0.79 TDP1 (0.38) MAPTGAAALOX12CRHBPHTT
SCHEMBL27931119 0.77 SLC6A2 (0.42) HTTSLC6A2SLC6A4ALDH1A1KDM4E
SCHEMBL11666261 0.76 TP53 (0.48) MAPTSLC6A2SLC6A4ALDH1A1KDM4E

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-112105341-A A method for treating and/or preventing damaged keratin 彼得·西夫勒 2020-12-18 CN disclosed