SCHEMBL4577919

SCHEMBL4577919

Cc1ccc(C#Cc2ccc3c(c2)C(=O)OC3=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.49
CA12 O43570 4/20 0.45
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA9 Q16790 3/20 0.45
KCNH2 Q12809 1/20 0.41
ALDH1A1 P00352 2/20 0.40
ALOX15 P16050 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
NFKB1 P19838 1/20 0.40
CYP2C19 P33261 1/20 0.40
NFKB2 Q00653 1/20 0.40
KMT2A Q03164 1/20 0.40

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
Toluene SCHEMBL7860098 0.92 GRM5 (0.57) GRM5CA12CA1CA2CA9
SCHEMBL9611211 0.91 GRM5 (0.56) GRM5ALDH1A1ALOX15TDP1
SCHEMBL2640689 0.89 GRM5 (0.53) GRM5ALDH1A1ALOX15TDP1
SCHEMBL72823 0.85 GRM5 (0.66) GRM5ALDH1A1ALOX15TDP1
SCHEMBL9885459 0.82 GRM5 (0.49) GRM5CA1CA2ALDH1A1ALOX15
SCHEMBL14252062 0.82 GRM5 (0.65) GRM5CA12CA1CA2CA9
SCHEMBL27186006 0.82 GRM5 (0.49) GRM5ALDH1A1ALOX15TDP1MEN1
SCHEMBL2126775 0.81 GRM5 (0.43) GRM5CA12CA1ALDH1A1ALOX15
SCHEMBL30861779 0.81 APP (0.47) GRM5CA12CA1CA2CA9
SCHEMBL29246853 0.81 APP (0.47) GRM5CA12CA1CA2CA9

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114395364-B High-temperature-resistant polyimide structure adhesive and application thereof 中国科学院化学研究所 2023-03-07 CN claimed
CN-114395364-A High-temperature-resistant polyimide structure adhesive and application thereof 中国科学院化学研究所 2022-04-26 CN claimed
CN-114395364-B High-temperature-resistant polyimide structure adhesive and application thereof 中国科学院化学研究所 2023-03-07 CN disclosed
CN-114395364-A High-temperature-resistant polyimide structure adhesive and application thereof 中国科学院化学研究所 2022-04-26 CN disclosed
EP-1586569-B1 Aryl ethynyl phthalic acid derivative and method for producing the same FUJIFILM CORP (JP) 2012-06-06 EP disclosed
EP-1586569-B1 Aryl ethynyl phthalic acid derivative and method for producing the same FUJIFILM CORP (JP) 2012-06-06 EP disclosed
US-7339071-B2 Aryl ethynyl phthalic acid derivative and method for producing the same FUJIFILM CORPORATION (JP) 2008-03-04 US disclosed
US-7339071-B2 Aryl ethynyl phthalic acid derivative and method for producing the same FUJIFILM CORPORATION (JP) 2008-03-04 US disclosed
EP-1586569-A1 Aryl ethynyl phthalic acid derivative and method for producing the same FUJI PHOTO FILM CO., LTD. (JP) 2005-10-19 EP disclosed
US-20050215820-A1 Aryl ethynyl phthalic acid derivative and method for producing the same FUJI PHOTO FILM CO., LTD. 2005-09-29 US disclosed