Etocrylene

Etocrylene

SCHEMBL1768864

CCOC(=O)C(C#N)=C(c1ccccc1)c1ccccc1.CCOC(=O)C(C#N)=C(c1ccccc1)c1ccccc1

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.62
LMNA P02545 3/20 0.62
MAPK1 P28482 2/20 0.62
MAPT P10636 5/20 0.51
SMN1; SMN2 Q16637 3/20 0.48
CYP19A1 P11511 2/20 0.48
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
POLB P06746 1/20 0.45
RAB9A P51151 2/20 0.44
USP2 O75604 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
DHODH Q02127 1/20 0.44
TP53 P04637 1/20 0.44
NPC1 O15118 1/20 0.44
XBP1 P17861 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
Etocrylene SCHEMBL39390 1.00 ALDH1A1 (0.62) ALDH1A1LMNAMAPK1MAPTSMN1; SMN2
Etocrylene SCHEMBL4076085 0.98 ALDH1A1 (0.61) ALDH1A1LMNAMAPK1MAPTSMN1; SMN2
SCHEMBL8998907 0.94 LMNA (0.57) ALDH1A1LMNAMAPK1MAPTSMN1; SMN2
Etocrylene SCHEMBL9180144 0.94 ALDH1A1 (0.67) ALDH1A1LMNAMAPK1MAPTSMN1; SMN2
SCHEMBL8998904 0.94 LMNA (0.57) ALDH1A1LMNAMAPK1MAPTSMN1; SMN2
SCHEMBL12832324 0.93 ALDH1A1 (0.56) ALDH1A1LMNAMAPK1MAPTSMN1; SMN2
SCHEMBL14451735 0.92 ALDH1A1 (0.55) ALDH1A1LMNAMAPK1MAPTSMN1; SMN2
SCHEMBL13236536 0.90 CYP19A1 (0.56) ALDH1A1LMNAMAPK1MAPTSMN1; SMN2
SCHEMBL12758735 0.90 LMNA (0.54) ALDH1A1LMNAMAPK1MAPTSMN1; SMN2
SCHEMBL1998828 0.90 CYP19A1 (0.56) ALDH1A1LMNAMAPK1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011061144-A2 THE PRESENT INVENTION RELATES TO THE USE OF BETA-(1, 3)- BETA-(1, 4) GLUCAN WITH AN AVERAGE MOLECULAR WEIGHT OF FROM 5.000 TO 150.000 DA FOR THE INCREASE OF SYNTHESIS OF COLLAGEN BASF SE (DE) 2011-05-26 WO disclosed
US-6143906-A REACTING ASCORBIC ACID OR ASCORBIC ACID DERIVATIVES WITH SORBIC ACID OR SORBIC ACID DERIVATIVE TO FORM ASCORBYL SORBATES WHICH IS USED AS COSMETIC OR DURG BASF AKTIENGESELLSCHAFT (DE) 2000-11-07 US disclosed
US-6069258-A SUNSCREEN AGENTS; PROTECTIVE COATINGS FOR SKIN BASF AKTIENGESELLSCHAFT (DE) 2000-05-30 US disclosed
US-6037487-A UNSATURATED AMINE AND CARBONYL-CONTAINING COMPOUNDS OF GIVEN FORMULA WITH HIGH ABSORPTION IN THE UV-A RANGE BASF AKTIENGESELLSCHAFT (DE) 2000-03-14 US disclosed
US-6007828-A SUNSCREEN AGENT MIXTURE CONTAINING 1,1-DINITRILO-2,2-DIPHENYL ETHYLENE DERIVATIVE IN A COSMETIC CARRIER BASF AKTIENGESELLSCHAFT (DE) 1999-12-28 US disclosed
US-5968484-A APPLYING 2-ORGANOCARBONYLACRYLONITRILE DERIVATIVE AS SUNSCREEN AGENT BASF AKTIENGESELLSCHAFT (DE) 1999-10-19 US disclosed