SCHEMBL26422119

SCHEMBL26422119

CC[N+](C)(CC)c1ccc(O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.42
OPRM1 P35372 3/20 0.42
TSHR P16473 2/20 0.42
ESR1 P03372 8/20 0.41
ESR2 Q92731 6/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.41
CYP3A4 P08684 3/20 0.41
MAPT P10636 3/20 0.41
ALOX15 P16050 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HIF1A Q16665 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP1A2 P05177 2/20 0.41
PGR P06401 2/20 0.41
CHRM2 P08172 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
AR P10275 2/20 0.41

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
SCHEMBL5944481 0.77 ACHE (0.42) ACHETSHRALDH1A1LMNAMAPT
SCHEMBL31325829 0.76 ACHE (0.41) ACHEOPRM1TSHRESR1ESR2
SCHEMBL5436496 0.74 APOBEC3A (0.50) ACHEOPRM1TSHRALDH1A1LMNA
Hydrochloric Acid SCHEMBL11399161 0.73 PSMD14 (0.39) ACHEALDH1A1LMNASMN1; SMN2BLM
Hydrochloric Acid SCHEMBL11681238 0.73 GAA (0.40) ACHETSHRALDH1A1LMNACYP3A4
SCHEMBL4611923 0.73 ACHE (0.71) ACHEOPRM1TSHRALDH1A1LMNA
SCHEMBL1921139 0.73 ACHE (0.50) ACHETSHRESR1ESR2ALDH1A1
Water SCHEMBL8385260 0.72 APOBEC3A (0.48) ACHEOPRM1TSHRALDH1A1LMNA
SCHEMBL18644113 0.71 CA1 (0.50) ACHEALDH1A1CYP3A4MAPTNR1I2
SCHEMBL7078441 0.71 ESR1 (0.39) ACHEOPRM1TSHRESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023189803-A1 RESIST UNDERLAYER FILM FORMING COMPOSITION 日産化学株式会社 2023-10-05 WO disclosed
WO-2023189799-A1 SELF CROSS-LINKABLE POLYMER AND RESIST UNDERLAYER FILM-FORMING COMPOSITION 日産化学株式会社 2023-10-05 WO disclosed