SCHEMBL7733713

SCHEMBL7733713

CCN(c1ccccc1N(CC)C(C)OC)C(C)OC

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.34
PGR P06401 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
HTR2A P28223 1/20 0.32
HRH1 P35367 1/20 0.32
KCNH2 Q12809 1/20 0.32
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
LMNA P02545 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL10766412 0.89 CYP3A4 (0.37) ESR1LMNAMEN1KMT2AALDH1A1
SCHEMBL10444592 0.82 TP53 (0.39) ESR1PGRADRA2AADRA2BHTR2A
SCHEMBL7731821 0.82 L3MBTL1 (0.35) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL9864456 0.79 CD44 (0.36) HTR2AKCNH2LMNA
SCHEMBL7736383 0.79 ALDH1A1 (0.34) ALDH1A1
SCHEMBL7733236 0.79 CACNA1F (0.33) ADRA2BHRH1KCNH2
SCHEMBL7733707 0.78 NR1H2 (0.35) NR1H2NR1H3LMNAMEN1KMT2A
SCHEMBL7734463 0.78 LMNA (0.33) ESR1NR1H2NR1H3LMNA
SCHEMBL11674819 0.72 TSHR (0.41) ESR1MEN1KMT2AALDH1A1
SCHEMBL7733732 0.71 ALDH1A1 (0.31) LMNAKMT2ASMN1; SMN2ALDH1A1

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
US-6399272-B1 Phenylenediamine derivative-type additive useful for a chemically amplified photoresist HYUNDAI ELECTRONICS INDUSTRIES CO., LTD. (KR) 2002-06-04 US disclosed