SCHEMBL8921075

SCHEMBL8921075

CCOCC(C#N)C(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
TSHR P16473 2/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
GAA P10253 2/20 0.37
HTT P42858 2/20 0.36
LMNA P02545 2/20 0.36
HSD17B10 Q99714 1/20 0.34
ALOX15 P16050 1/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
CYP2C9 P11712 1/20 0.33
SOAT1 P35610 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
TRPA1 O75762 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
SCHEMBL9119785 0.84 ALDH1A1 (0.38) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL4588098 0.82 CTSK (0.35) ALDH1A1TSHRMEN1KMT2AHTT
SCHEMBL22645733 0.82 MEN1 (0.32) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL9117608 0.81 USP2 (0.44) MEN1KMT2AHTTMAPT
SCHEMBL10902100 0.81 ALDH1A1 (0.42) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL10920266 0.81 ALDH1A1 (0.42) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL28647601 0.81 ALDH1A1 (0.39) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL11817584 0.80 MEN1 (0.31) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL890388 0.79 ALDH1A1 (0.41) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL17147680 0.78 ALDH1A1 (0.39) ALDH1A1TSHRMEN1KMT2ASMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025110241-A1 METHOD FOR PRODUCING 1,1,2-TRISUBSTITUTED ETHANE AND METHOD FOR PRODUCING 1,1-DISUBSTITUTED OLEFIN 東亞合成株式会社 2025-05-30 WO disclosed
CN-111978259-B Allopurinol impurity F and preparation method thereof 无锡紫杉药业有限公司 2022-03-11 CN disclosed
EP-3805213-A2 1-(2-(ETHYLSULFONYL)-PHENYL)-4-(PHENYL)-1H-1,2,3-TRIAZOLE AND 4-(2-(ETHYLSULFONYL)-PHENYL)-1-(PHENYL)-1H-1,2,3-TRIAZOLE AND RELATED COMPOUNDS DERIVATIVES AS PESTICIDES Nippon Soda Co., Ltd. (JP) 2021-04-14 EP disclosed
CN-111978259-A Allopurinol impurity F and preparation method thereof 无锡紫杉药业有限公司 2020-11-24 CN disclosed
WO-2019152731-A1 ANDROGEN RECEPTOR ANTAGONISTS ALPINE ANDROSCIENCES, INC. (US) 2019-08-08 WO disclosed
CN-102532137-B 8-pyrazole substituted xanthine A2B adenosine receptor antagonist and synthesis method and application thereof UNIV LIAONING MEDICAL 2014-12-10 CN disclosed
CN-102532137-A 8-pyrazole substituted xanthine A2B adenosine receptor antagonist and synthesis method and application thereof UNIV LIAONING MEDICAL 2012-07-04 CN disclosed
US-5663366-A Process for the synthesis of 4,5-diaminopyrazole derivatives useful for dyeing hair WELLA AKTIENGESELLSCHAT (DE) 1997-09-02 US disclosed
US-5534267-A Composition for the oxidative dyeing of hair containing 4,5-diaminopyrazole derivatives as well as new 4,5-diaminopyrazole derivatives and process for their synthesis WELLA AKTIENGESELLSCHAFT (DE) 1996-07-09 US disclosed