SCHEMBL10078738

SCHEMBL10078738

C=C(C)C(C#N)=C(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 2/20 0.43
MAPT P10636 1/20 0.43
XBP1 P17861 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ESR1 P03372 2/20 0.38
CYP19A1 P11511 1/20 0.36
DHODH Q02127 1/20 0.36
ELANE P08246 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 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
SCHEMBL27391916 0.84 ALDH1A1 (0.43) ALDH1A1LMNAMAPK1MAPTXBP1
SCHEMBL14529410 0.83 ALDH1A1 (0.42) ALDH1A1LMNAMAPK1MAPTXBP1
SCHEMBL10061925 0.80 ALDH1A1 (0.51) ALDH1A1LMNAMAPK1MAPTXBP1
SCHEMBL14529408 0.79 ESR1 (0.40) ALDH1A1LMNAMAPK1MAPTXBP1
SCHEMBL11213262 0.77 ALDH1A1 (0.53) ALDH1A1LMNAMAPK1MAPTXBP1
Ethylene SCHEMBL28481468 0.76 ALDH1A1 (0.47) ALDH1A1LMNAMAPK1MAPTXBP1
SCHEMBL548316 0.76 ALDH1A1 (0.47) ALDH1A1LMNAMAPK1MAPTXBP1
Ethane SCHEMBL5679245 0.76 ALDH1A1 (0.51) ALDH1A1LMNAMAPK1MAPTXBP1
SCHEMBL14547457 0.75 ALDH1A1 (0.46) ALDH1A1LMNAMAPK1MAPTXBP1
Water SCHEMBL11778081 0.75 ALDH1A1 (0.50) ALDH1A1LMNAMAPK1MAPTXBP1

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-2181151-B1 POLYCARBONATE COMPOSITIONS SABIC GLOBAL TECHNOLOGIES BV (NL) 2016-03-16 EP disclosed
EP-1722863-B1 MICROCAPSULES WITH UV FILTER ACTIVITY AND PROCESS FOR PRODUCING THEM DSM IP ASSETS BV (NL) 2012-02-08 EP disclosed