SCHEMBL27892779

SCHEMBL27892779

CN(C)c1ccccc1.O=CC(Cl)=Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.47
▸ TSHR P16473 1/20 0.47
▸ RELA Q04206 1/20 0.47
▸ MAPT P10636 7/20 0.44
▸ KMT2A Q03164 6/20 0.44
▸ LMNA P02545 4/20 0.44
▸ GAA P10253 1/20 0.44
▸ RAB9A P51151 6/20 0.44
▸ NPC1 O15118 4/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ CYP1B1 Q16678 1/20 0.44
▸ SENP8 Q96LD8 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ SENP6 Q9GZR1 1/20 0.44
▸ MAPK1 P28482 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ MEN1 O00255 4/20 0.42
▸ CYP2A6 P11509 1/20 0.41
▸ CYP2A13 Q16696 1/20 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
SCHEMBL560303 0.85 ALDH1A1 (0.56) ALDH1A1TSHRMAPTKMT2ALMNA
SCHEMBL2566354 0.85 ALDH1A1 (0.56) ALDH1A1TSHRMAPTKMT2ALMNA
SCHEMBL560302 0.85 ALDH1A1 (0.56) ALDH1A1TSHRMAPTKMT2ALMNA
Hypochlorous Acid SCHEMBL7537014 0.77 ALDH1A1 (0.56) ALDH1A1TSHRRELAMAPTKMT2A
SCHEMBL11776320 0.75 ALDH1A1 (0.46) ALDH1A1TSHRMAPTKMT2ALMNA
Formic Acid SCHEMBL1042545 0.75 RAB9A (0.54) ALDH1A1TSHRRELAMAPTKMT2A
SCHEMBL28084465 0.75 RELA (0.52) ALDH1A1TSHRRELAMAPTKMT2A
SCHEMBL391071 0.75 MAPT (0.54) ALDH1A1TSHRRELAMAPTKMT2A
SCHEMBL11485032 0.73 ALDH1A1 (0.39) ALDH1A1TSHRMAPTKMT2ALMNA
SCHEMBL11485035 0.73 ALDH1A1 (0.39) ALDH1A1TSHRMAPTKMT2ALMNA

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
CN-102746172-A Preparation method of dimethylaminocinnamaldehyde HUBEI YUANCHENG PHARMACEUTICAL 2012-10-24 — — CN claimed
CN-102746172-A Preparation method of dimethylaminocinnamaldehyde HUBEI YUANCHENG PHARMACEUTICAL 2012-10-24 — — CN disclosed
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