SCHEMBL3280089

SCHEMBL3280089

C=CCNC(=O)C(=C)N(CC=C)CC=C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TSHR P16473 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 1/20 0.39
FAAH O00519 1/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.33
CYP1A2 P05177 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL2356718 0.83 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2TSHRMAPTKMT2A
SCHEMBL10337837 0.82 FAAH (0.42) ALDH1A1SMN1; SMN2TSHRMAPTKMT2A
SCHEMBL3258239 0.79 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2TSHRMAPTKMT2A
SCHEMBL5695370 0.78 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2TSHRMAPTKMT2A
SCHEMBL6708425 0.78 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2TSHRMAPTKMT2A
SCHEMBL28018915 0.78 KDM4E (0.35) ALDH1A1SMN1; SMN2TSHRMAPTKMT2A
SCHEMBL4952777 0.77 TSHR (0.56) ALDH1A1SMN1; SMN2TSHRMAPTKMT2A
SCHEMBL175511 0.75 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2TSHRMAPTKMT2A
SCHEMBL28558812 0.73 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2TSHRMAPTKMT2A
SCHEMBL4073329 0.73 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2TSHRMAPTKMT2A

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
EP-1740302-B1 PARTICULATE COMPOSITIONS AND THEIR MANUFACTURE CIBA SPEC CHEM WATER TREAT LTD (GB) 2010-06-23 EP claimed
EP-1932511-A2 Peeling process based on a cationic microgel L'OREAL (FR) 2008-06-18 EP disclosed