SCHEMBL28080788

SCHEMBL28080788

CCCC(N)NC1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
SHBG P04278 1/20 0.37
EPHX1 P07099 10/20 0.36
SIGMAR1 Q99720 2/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
EPHX2 P34913 2/20 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
SCHEMBL3138483 0.88 EPHX1 (0.41) EPHX1SIGMAR1ALDH1A1EPHX2
SCHEMBL4528804 0.86 SIGMAR1 (0.44) EPHX1SIGMAR1ALDH1A1EPHX2
SCHEMBL16949689 0.86 SIGMAR1 (0.44) EPHX1SIGMAR1ALDH1A1EPHX2
SCHEMBL20540216 0.86 SIGMAR1 (0.44) EPHX1SIGMAR1ALDH1A1EPHX2
SCHEMBL8949667 0.86 SIGMAR1 (0.44) EPHX1SIGMAR1ALDH1A1EPHX2
SCHEMBL10939689 0.83 SHBG (0.44) SHBGEPHX1KDM4EALDH1A1EPHX2
SCHEMBL460663 0.83 SHBG (0.44) SHBGEPHX1KDM4EALDH1A1EPHX2
SCHEMBL28150548 0.81 EPHX1 (0.38) SMN1; SMN2EPHX1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL11558216 0.81 SHBG (0.43) SMN1; SMN2SHBGEPHX1SIGMAR1KDM4E
SCHEMBL16949666 0.80 SHBG (0.41) SHBGEPHX1KDM4EALDH1A1EPHX2

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-105802277-A Pigment composition, coloring composition, and manufacturing method for pigment composition 大日精化工业株式会社 2016-07-27 CN disclosed