SCHEMBL27724922

SCHEMBL27724922

CCCCCCCCCCNC(C)(C)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.45
SIGMAR1 Q99720 1/20 0.44
EPHX1 P07099 3/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
KCNN4 O15554 1/20 0.42
RECQL P46063 1/20 0.41
EGFR P00533 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
KCNH3 Q9ULD8 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL483594 1.00 NAAA (0.45) NAAASIGMAR1EPHX1ALDH1A1HTT
SCHEMBL3170588 1.00 NAAA (0.45) NAAASIGMAR1EPHX1ALDH1A1HTT
SCHEMBL525869 1.00 NAAA (0.45) NAAASIGMAR1EPHX1ALDH1A1HTT
SCHEMBL8913044 1.00 NAAA (0.45) NAAASIGMAR1EPHX1ALDH1A1HTT
Water SCHEMBL569222 0.98 NAAA (0.44) NAAASIGMAR1EPHX1ALDH1A1HTT
Hydrochloric Acid SCHEMBL755158 0.98 NAAA (0.44) NAAASIGMAR1EPHX1ALDH1A1HTT
Bromide SCHEMBL961320 0.98 NAAA (0.44) NAAASIGMAR1EPHX1ALDH1A1HTT
Bromide SCHEMBL7189275 0.98 NAAA (0.44) NAAASIGMAR1EPHX1ALDH1A1HTT
Hydrochloric Acid SCHEMBL1845659 0.98 NAAA (0.44) NAAASIGMAR1EPHX1ALDH1A1HTT
Hydrochloric Acid SCHEMBL6803724 0.98 NAAA (0.44) NAAASIGMAR1EPHX1ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101189001-A Aerosol and injectable formulations of nanoparticulate benzodiazepine ELAN PHARMA INT LTD (IE) 2008-05-28 CN claimed
CN-117015849-A Method for manufacturing semiconductor substrate for memory element 三菱瓦斯化学株式会社 2023-11-07 CN disclosed
CN-101336103-A Hair treatment compositions UNILEVER NV (NL) 2008-12-31 CN disclosed
CN-101189001-A Aerosol and injectable formulations of nanoparticulate benzodiazepine ELAN PHARMA INT LTD (IE) 2008-05-28 CN disclosed