SCHEMBL18763591

SCHEMBL18763591

C=CCCCOc1ccc(C(=O)O)c(-c2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
LSS P48449 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GSTP1 P09211 1/20 0.41
MAPT P10636 3/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
PTPN11 Q06124 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
ALDH2 P05091 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CYP1A2 P05177 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39

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
SCHEMBL18763585 0.85 ALDH1A1 (0.53) ALDH1A1L3MBTL1PTPN11ALDH2MAOA
SCHEMBL29109658 0.85 ALDH1A1 (0.52) ALDH1A1L3MBTL1LSSPTPN11ALDH2
SCHEMBL18763595 0.84 ALDH1A1 (0.52) ALDH1A1L3MBTL1PTPN11ALDH2MAOA
SCHEMBL18763587 0.81 ALDH1A1 (0.52) ALDH1A1L3MBTL1MAPTPTPN11HRH2
SCHEMBL9655049 0.80 ALDH1A1 (0.51) ALDH1A1L3MBTL1LSSMAPTCRHBP
SCHEMBL8913753 0.80 ALDH1A1 (0.51) ALDH1A1L3MBTL1PTPN11HRH2HRH1
SCHEMBL11247571 0.78 SMN1; SMN2 (0.51) ALDH1A1L3MBTL1PTPN11CYP1A2
SCHEMBL29109659 0.76 PTPN11 (0.47) ALDH1A1L3MBTL1LSSPTPN11ALDH2
SCHEMBL3701478 0.75 LSS (0.54) ALDH1A1L3MBTL1LSSMEN1KMT2A
SCHEMBL28409526 0.75 TDP1 (0.48) ALDH1A1MEN1KMT2AMAPTAKR1C3

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