SCHEMBL5001901

SCHEMBL5001901

CCOC(=O)C(C)=CC#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
TSHR P16473 1/20 0.48
CYP2C9 P11712 1/20 0.46
GLO1 Q04760 1/20 0.45
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 4/20 0.41
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PTP4A1 Q93096 1/20 0.40
TRPA1 O75762 1/20 0.37
CYP2D6 P10635 3/20 0.36
CYP2C19 P33261 2/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL14576672 1.00 ALDH1A1 (0.48) ALDH1A1TSHRCYP2C9GLO1LMNA
SCHEMBL12364286 1.00 ALDH1A1 (0.48) ALDH1A1TSHRCYP2C9GLO1LMNA
Acrylamide SCHEMBL11583021 0.88 ALDH1A1 (0.43) ALDH1A1TSHRCYP2C9GLO1LMNA
SCHEMBL9805797 0.84 HCAR2 (0.37) ALDH1A1TSHRCYP2C9GLO1LMNA
SCHEMBL23674228 0.81 ALDH1A1 (0.48) ALDH1A1TSHRLMNANPSR1MAPT
SCHEMBL23674229 0.81 ALDH1A1 (0.48) ALDH1A1TSHRLMNANPSR1MAPT
SCHEMBL28589249 0.80 ALDH1A1 (0.41) ALDH1A1TSHRLMNAHSD17B10SMN1; SMN2
SCHEMBL3646769 0.79 ALDH1A1 (0.48) ALDH1A1TSHRCYP2C9GLO1LMNA
SCHEMBL6735624 0.79 ALDH1A1 (0.48) ALDH1A1TSHRCYP2C9GLO1LMNA
SCHEMBL4127238 0.79 ALDH1A1 (0.48) ALDH1A1TSHRCYP2C9GLO1LMNA

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11884814-B2 Resin composition AJINOMOTO CO., INC. (JP) 2024-01-30 US disclosed
US-11186011-B2 Method for producing thermally crosslinkable polymers in a planetary roller extruder ENTEX RUST & MITSCHKE GMBH (DE) 2021-11-30 US disclosed
WO-2021149763-A1 CURABLE COMPOSITION FOR PRODUCTION OF RESIN SHEET 東亞合成株式会社 2021-07-29 WO disclosed
US-20200055214-A1 Method for Producing Thermally Crosslinkable Polymers in a Planetary Roller Extruder ENTEX RUST & MITSCHKE GMBH (DE) 2020-02-20 US disclosed
CN-108472309-A Nucleic acid vaccine for Varicella Zoster Virus (VZV) 摩登纳特斯有限公司 2018-08-31 CN disclosed
CN-107868071-A 7,8 5,7-Dihydroxyflavones and chromocor derivative, composition and its correlation technique of 7,8 substitutions 爱默蕾大学 2018-04-03 CN disclosed
CN-104812744-B 7, 8-dihydroxyflavone and 7, 8-substituted flavone derivatives, compositions, and methods related thereto 爱默蕾大学 2017-12-01 CN disclosed
CN-104487429-B Heterocycle chromocor derivative, composition and relative method 爱默蕾大学 2017-07-14 CN disclosed
CN-101848565-B Heated area element TESA SE 2013-07-31 CN disclosed
EP-1998222-B1 Coating compositions ROHM & HAAS ELECT MAT (US) 2013-03-20 EP disclosed
CN-101848565-A Heated area element TESA SE 2010-09-29 CN disclosed
EP-1998222-A2 Coating compositions Rohm and Haas Electronic Materials LLC (US) 2008-12-03 EP disclosed
US-20080248331-A1 Coating composition ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2008-10-09 US disclosed
CN-1691936-A Combined immediate release and extended release analgesic composition ENDO PHARMACEUTICALS INC (US) 2005-11-02 CN disclosed
US-20050192309-A1 Method of preventing abuse of opioid dosage forms PALERMO PHILIP J (US) 2005-09-01 US disclosed
EP-0332405-B1 SURGICAL ADHESIVE SANYO CHEMICAL INDUSTRIES LTD. (JP) 1993-08-25 EP disclosed
US-4994542-A Surgical adhesive ASAHI GLASS CO., LTD. (JP) 1991-02-19 US disclosed
EP-0332405-A2 Surgical adhesive SANYO CHEMICAL INDUSTRIES LTD. (JP) 1989-09-13 EP disclosed
US-4806614-A POLYETHERURETHANE COPOLYMER CONTAINING UNSATURATED CYANO COMPOUND SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1989-02-21 US disclosed
US-4740534-A POLYETHERURETHANES WITH UNSURATED CYANO COMPOUNDS; RAPID CURE SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1988-04-26 US disclosed