SCHEMBL28404667

SCHEMBL28404667

CCc1ccc(C(=O)C(=O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.68
PLK1 P53350 1/20 0.55
PTPN1 P18031 4/20 0.55
PTPRC P08575 3/20 0.55
PTPN2 P17706 2/20 0.55
CPT1B Q92523 1/20 0.54
TDP1 Q9NUW8 1/20 0.52
RXRA P19793 2/20 0.50
RXRB P28702 2/20 0.50
PTPRF P10586 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
CES2 O00748 2/20 0.45
CES1 P23141 2/20 0.45
AKR1C3 P42330 1/20 0.45
TP53 P04637 1/20 0.44
PTPN7 P35236 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL23512739 0.94 ALDH1A1 (0.61) ALDH1A1PLK1PTPN1PTPRCPTPN2
SCHEMBL6259079 0.88 ALDH1A1 (0.70) ALDH1A1PLK1TDP1RXRARXRB
SCHEMBL2836495 0.84 ALDH1A1 (0.65) ALDH1A1PLK1RXRARXRBCES2
SCHEMBL29062361 0.83 L3MBTL1 (0.59) ALDH1A1PLK1PTPN1PTPRCPTPN2
SCHEMBL17802303 0.82 ALDH1A1 (0.61) ALDH1A1PLK1TDP1RXRARXRB
SCHEMBL9420265 0.82 ALDH1A1 (0.61) ALDH1A1PLK1TDP1RXRARXRB
SCHEMBL19901 0.81 ALDH1A1 (1.00) ALDH1A1PLK1TDP1RXRARXRB
SCHEMBL1330335 0.81 ALDH1A1 (1.00) ALDH1A1PLK1TDP1RXRARXRB
SCHEMBL1330795 0.81 ALDH1A1 (1.00) ALDH1A1PLK1TDP1RXRARXRB
SCHEMBL28417303 0.80 CES2 (0.70) ALDH1A1PLK1TDP1SMN1; SMN2CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118908819-B Preparation method of organic ketone compound under synergistic catalysis of light and metal 延安大学 2025-04-18 CN claimed
CN-118908819-A Preparation method of organic ketone compound under synergistic catalysis of light and metal 延安大学 2024-11-08 CN claimed
CN-118908819-B Preparation method of organic ketone compound under synergistic catalysis of light and metal 延安大学 2025-04-18 CN disclosed
CN-118908819-A Preparation method of organic ketone compound under synergistic catalysis of light and metal 延安大学 2024-11-08 CN disclosed
CN-115403459-A Preparation method of 1, 4-dicarbonyl compound 广州自远生物科技有限公司 2022-11-29 CN disclosed
CN-111217736-B Method for synthesizing 2-acylindole compound under photocatalysis 陕西科技大学 2021-07-02 CN disclosed
CN-111217736-A Method for synthesizing 2-acylindole compound under photocatalysis 陕西科技大学 2020-06-02 CN disclosed