SCHEMBL4694192

SCHEMBL4694192

CC(C)COC(=O)/C(C#N)=C/c1ccc2c(c1)OCO2

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.77
CRHR2 Q13324 1/20 0.77
KDM4E B2RXH2 4/20 0.58
KMT2A Q03164 2/20 0.58
PKM P14618 1/20 0.58
HPGD P15428 4/20 0.55
HTT P42858 2/20 0.55
MAPT P10636 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MAOB P27338 3/20 0.53
LMNA P02545 1/20 0.51
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
ALDH1A1 P00352 4/20 0.48
GAA P10253 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL4694193 1.00 CRHBP (0.77) CRHBPCRHR2KDM4EKMT2APKM
SCHEMBL8362001 0.89 CRHBP (0.74) CRHBPCRHR2KDM4EKMT2APKM
SCHEMBL17465786 0.87 CRHBP (1.00) CRHBPCRHR2KDM4EKMT2APKM
SCHEMBL8366345 0.87 CRHBP (1.00) CRHBPCRHR2KDM4EKMT2APKM
SCHEMBL29959935 0.84 CRHBP (0.69) CRHBPCRHR2KDM4EKMT2APKM
SCHEMBL27434267 0.83 CRHBP (0.79) CRHBPCRHR2KDM4EKMT2APKM
SCHEMBL10358119 0.83 CRHBP (0.76) CRHBPCRHR2KDM4EKMT2APKM
SCHEMBL10358118 0.83 CRHBP (0.76) CRHBPCRHR2KDM4EKMT2APKM
SCHEMBL12677351 0.80 CRHBP (0.86) CRHBPCRHR2KDM4EKMT2APKM
SCHEMBL21457527 0.80 DNM1 (0.50) CRHBPCRHR2KDM4EKMT2APKM

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
EP-3485076-B1 CLEANING AGENT IDENTIFICATION HENKEL AG & CO KGAA (DE) 2022-11-02 EP disclosed
US-8754179-B2 Light activated shape memory co-polymers CORNERSTONE RESEARCH GROUP, INC. (US) 2014-06-17 US disclosed
US-20080021166-A1 Light Activated Shape Memory Co-Polymers GOVERNMENT OF THE UNITED STATES AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE 2008-01-24 US disclosed
EP-1799771-A2 LIGHT ACTIVATED SHAPE MEMORY CO-POLYMERS CORNERSTONE RESEARCH GROUP, INC. (US) 2007-06-27 EP disclosed
WO-2007001407-A2 LIGHT ACTIVATED SHAPE MEMORY CO-POLYMERS CORNERSTONE RESEARCH GROUP, INC. (US) 2007-01-04 WO disclosed