SCHEMBL25868228

SCHEMBL25868228

CCCCNCCN(C)CCCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
ALDH1A1 P00352 1/20 0.48
ADH1B P00325 2/20 0.41
ADH1C P00326 2/20 0.41
ADH1A P07327 2/20 0.41
ADH7 P40394 2/20 0.41
CYP2C19 P33261 3/20 0.39
CYP2C9 P11712 1/20 0.39
KDM4C Q9H3R0 6/20 0.39
KDM5A P29375 4/20 0.39
KDM4A O75164 2/20 0.37
PHF8 Q9UPP1 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.36
GLA P06280 1/20 0.36
KMT2A Q03164 1/20 0.36
S1PR2 O95136 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
S1PR5 Q9H228 1/20 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
SCHEMBL23139686 0.91 TSHR (0.48) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL20091201 0.89 ALDH1A1 (0.54) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL20091176 0.89 ALDH1A1 (0.54) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL20091178 0.89 ALDH1A1 (0.54) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL20091166 0.89 ALDH1A1 (0.54) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL20091177 0.89 ALDH1A1 (0.54) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL20091205 0.89 ALDH1A1 (0.54) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL20091179 0.89 ALDH1A1 (0.54) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL16137234 0.86 TSHR (0.48) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL23863866 0.86 TSHR (0.52) TSHRALDH1A1ADH1BADH1CADH1A

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
WO-2023132958-A1 ELECTROPHORETIC MEDIA COMPRISING ELECTROPHORETIC PARTICLES AND A COMBINATION OF CHARGE CONTROL AGENTS E INK CORPORATION (US) 2023-07-13 WO disclosed