SCHEMBL28595265

SCHEMBL28595265

CCCCCCCCCc1ccc(OCCN(C)C)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.70
ALDH1A1 P00352 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
MEN1 O00255 1/20 0.60
USP2 O75604 1/20 0.60
LMNA P02545 1/20 0.60
CYP3A4 P08684 1/20 0.60
MAPK1 P28482 1/20 0.60
CASP1 P29466 1/20 0.60
KMT2A Q03164 1/20 0.60
SLCO1B3 Q9NPD5 1/20 0.60
SLCO1B1 Q9Y6L6 1/20 0.60
KEAP1 Q14145 1/20 0.58
NFE2L2 Q16236 1/20 0.58
LTA4H P09960 2/20 0.55
THRA P10827 3/20 0.54
THRB P10828 3/20 0.54
KDM4E B2RXH2 2/20 0.53
ESR1 P03372 2/20 0.51
ESR2 Q92731 2/20 0.51

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
SCHEMBL874146 0.93 HRH3 (0.74) HRH3ALDH1A1SMN1; SMN2MEN1USP2
SCHEMBL12051786 0.91 ALDH1A1 (0.70) HRH3ALDH1A1SMN1; SMN2MEN1USP2
SCHEMBL9215261 0.88 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2MEN1USP2LMNA
Hydrochloric Acid SCHEMBL9735260 0.87 HRH3 (0.72) HRH3ALDH1A1SMN1; SMN2MEN1USP2
SCHEMBL3055382 0.86 HRH3 (0.83) HRH3ALDH1A1SMN1; SMN2KEAP1NFE2L2
SCHEMBL4547156 0.86 HRH3 (0.79) HRH3ALDH1A1SMN1; SMN2KEAP1NFE2L2
SCHEMBL13763215 0.86 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2MEN1USP2LMNA
SCHEMBL9357898 0.86 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2MEN1USP2LMNA
SCHEMBL10569132 0.86 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2MEN1USP2LMNA
SCHEMBL10945879 0.86 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2MEN1USP2LMNA

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-113045934-A Printing ink, application thereof and preparation method of quantum dot film TCL集团股份有限公司 2021-06-29 CN claimed