SCHEMBL18763587

SCHEMBL18763587

C=CCCCOc1ccc(C(=O)O)c(-c2ccc(C#N)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MMP2 P08253 5/20 0.48
PRKAB2 O43741 1/20 0.44
PRKAG1 P54619 1/20 0.44
PRKAA2 P54646 1/20 0.44
PRKAA1 Q13131 1/20 0.44
PRKAG3 Q9UGI9 1/20 0.44
PRKAG2 Q9UGJ0 1/20 0.44
PRKAB1 Q9Y478 1/20 0.44
MMP3 P08254 5/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
MMP1 P03956 1/20 0.43
MMP9 P14780 1/20 0.43
MMP13 P45452 1/20 0.43
HRH2 P25021 2/20 0.42
HRH1 P35367 2/20 0.42
FFAR1 O14842 2/20 0.41
FFAR4 Q5NUL3 2/20 0.41

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
SCHEMBL8913753 0.99 ALDH1A1 (0.51) ALDH1A1L3MBTL1MMP2PRKAB2PRKAG1
SCHEMBL2364297 0.87 MMP2 (0.45) MMP2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL9194383 0.86 MMP2 (0.47) MMP2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL18763585 0.86 ALDH1A1 (0.53) ALDH1A1L3MBTL1HDAC1HDAC2FFAR1
SCHEMBL29109658 0.86 ALDH1A1 (0.52) ALDH1A1L3MBTL1HDAC1HDAC2FFAR1
SCHEMBL18763595 0.85 ALDH1A1 (0.52) ALDH1A1L3MBTL1PRKAB2PRKAG1PRKAA2
SCHEMBL11682169 0.84 PTPN11 (0.59) ALDH1A1L3MBTL1MMP2PTPN11
SCHEMBL10338851 0.83 PTPN11 (0.61) ALDH1A1L3MBTL1PTPN11
SCHEMBL11682474 0.83 PTPN11 (0.61) ALDH1A1L3MBTL1PTPN11
SCHEMBL11684568 0.83 PTPN11 (0.61) ALDH1A1L3MBTL1PTPN11

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
US-11391526-B2 Heat-transmitting modifier for elastomer, heat-transmission-modified crystalline elastomer, method for using crystalline polymer and precursor thereof, method for heat-transmission modification of elastomer, heater body, and heated body I.S.T CORPORATION (JP) 2022-07-19 US claimed
US-20200232728-A1 HEAT-TRANSMITTING MODIFIER FOR ELASTOMER, HEAT-TRANSMISSION-MODIFIED CRYSTALLINE ELASTOMER, METHOD FOR USING CRYSTALLINE POLYMER AND PRECURSOR THEREOF, METHOD FOR HEAT-TRANSMISSION MODIFICATION OF ELASTOMER, HEATER BODY, AND HEATED BODY IST CORP (JP) 2020-07-23 US claimed
US-20170115075-A1 HEAT-TRANSMITTING MODIFIER FOR ELASTOMER, HEAT-TRANSMISSION-MODIFIED CRYSTALLINE ELASTOMER, METHOD FOR USING CRYSTALLINE POLYMER AND PRECURSOR THEREOF, METHOD FOR HEAT-TRANSMISSION MODIFICATION OF ELASTOMER, HEATER BODY, AND HEATED BODY I.S.T CORPORATION (JP) 2017-04-27 US claimed
US-11391526-B2 Heat-transmitting modifier for elastomer, heat-transmission-modified crystalline elastomer, method for using crystalline polymer and precursor thereof, method for heat-transmission modification of elastomer, heater body, and heated body I.S.T CORPORATION (JP) 2022-07-19 US disclosed
US-20200232728-A1 HEAT-TRANSMITTING MODIFIER FOR ELASTOMER, HEAT-TRANSMISSION-MODIFIED CRYSTALLINE ELASTOMER, METHOD FOR USING CRYSTALLINE POLYMER AND PRECURSOR THEREOF, METHOD FOR HEAT-TRANSMISSION MODIFICATION OF ELASTOMER, HEATER BODY, AND HEATED BODY IST CORP (JP) 2020-07-23 US disclosed
US-20170115075-A1 HEAT-TRANSMITTING MODIFIER FOR ELASTOMER, HEAT-TRANSMISSION-MODIFIED CRYSTALLINE ELASTOMER, METHOD FOR USING CRYSTALLINE POLYMER AND PRECURSOR THEREOF, METHOD FOR HEAT-TRANSMISSION MODIFICATION OF ELASTOMER, HEATER BODY, AND HEATED BODY I.S.T CORPORATION (JP) 2017-04-27 US disclosed