SCHEMBL1645065

SCHEMBL1645065

C=CCN(CC=C)C(=O)O.C=CCNCC=C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
CYP1A2 P05177 1/20 0.38
SMN1; SMN2 Q16637 5/20 0.35
MAPT P10636 2/20 0.35
TSHR P16473 1/20 0.34
LMNA P02545 3/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34
CCR6 P51684 1/20 0.34
GAA P10253 1/20 0.33
KDM4E B2RXH2 4/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL88005 0.86 ALDH1A1 (0.54) ALDH1A1CYP1A2SMN1; SMN2MAPTLMNA
SCHEMBL2543501 0.84 ALDH1A1 (0.52) ALDH1A1CYP1A2SMN1; SMN2MAPTLMNA
SCHEMBL8985064 0.84 ALDH1A1 (0.52) ALDH1A1CYP1A2SMN1; SMN2MAPTLMNA
SCHEMBL9487258 0.84 ALDH1A1 (0.52) ALDH1A1CYP1A2SMN1; SMN2MAPTLMNA
SCHEMBL9487265 0.84 ALDH1A1 (0.52) ALDH1A1CYP1A2SMN1; SMN2MAPTLMNA
SCHEMBL9245352 0.84 ALDH1A1 (0.52) ALDH1A1CYP1A2SMN1; SMN2MAPTLMNA
SCHEMBL8845450 0.84 ALDH1A1 (0.52) ALDH1A1CYP1A2SMN1; SMN2MAPTLMNA
Hydrochloric Acid SCHEMBL2141106 0.84 ALDH1A1 (0.52) ALDH1A1CYP1A2SMN1; SMN2MAPTLMNA
SCHEMBL1922708 0.82 ALDH1A1 (0.46) ALDH1A1CYP1A2SMN1; SMN2MAPTLMNA
Acrylic Acid SCHEMBL7071287 0.79 LMNA (0.56) ALDH1A1SMN1; SMN2MAPTTSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8617736-B2 Redox electrodes for flexible devices COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2013-12-31 US disclosed
US-20110097624-A1 REDOX ELECTRODES FOR FLEXIBLE DEVICES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2011-04-28 US disclosed
EP-0114399-B1 PROCESS FOR PREPARING SILYL CARBAMATES UNION CARBIDE CORPORATION (US) 1986-09-17 EP disclosed
US-4496754-A Silyl carbamates and synthesis thereof UNION CARBIDE CORPORATION (US) 1985-01-29 US disclosed
EP-0114399-A1 Process for preparing silyl carbamates UNION CARBIDE CORPORATION (US) 1984-08-01 EP disclosed