SCHEMBL29024632

SCHEMBL29024632

COc1ccc(Cc2cccc(C(=O)O)c2N)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.54
TP53 P04637 1/20 0.54
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TSHR P16473 1/20 0.48
LTA4H P09960 1/20 0.47
SAE1 Q9UBE0 1/20 0.43
UBA2 Q9UBT2 1/20 0.43
FABP4 P15090 1/20 0.43
LDHA P00338 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
KDM5A P29375 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
G6PD P11413 1/20 0.42
CASP7 P55210 1/20 0.42
CASP6 P55212 1/20 0.42
BRS3 P32247 1/20 0.42
POLB P06746 2/20 0.42

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
SCHEMBL2839519 0.85 TSHR (0.66) USP2TP53ALDH1A1SMN1; SMN2TSHR
SCHEMBL3361331 0.83 TSHR (0.57) ALDH1A1TSHRCA1CA2CA9
SCHEMBL7781040 0.81 TSHR (0.51) ALDH1A1TSHRCA1CA2CA9
SCHEMBL5718596 0.80 GPR52 (0.46) USP2TSHRG6PDCASP7CASP6
SCHEMBL30934865 0.79 G6PD (0.59) ALDH1A1TSHRG6PDCASP7CASP6
SCHEMBL4444648 0.79 G6PD (0.59) ALDH1A1TSHRG6PDCASP7CASP6
SCHEMBL21357059 0.78 LTA4H (0.51) USP2TP53ALDH1A1TSHRLTA4H
SCHEMBL8691983 0.77 TSHR (0.48) ALDH1A1TSHRSAE1UBA2CA1
SCHEMBL8517324 0.77 ALDH1A1 (0.68) USP2ALDH1A1TSHRCA1CA2
SCHEMBL27557414 0.77 ALDH1A1 (0.55) USP2TP53ALDH1A1SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116354847-B Cucumber aroma compound, preparation method thereof and cucumber aroma base 波顿香料股份有限公司 2025-06-03 CN claimed
CN-116354847-A Cucumber aroma compound, preparation method thereof and cucumber aroma base 波顿香料股份有限公司 2023-06-30 CN claimed
CN-116354847-B Cucumber aroma compound, preparation method thereof and cucumber aroma base 波顿香料股份有限公司 2025-06-03 CN disclosed
CN-116354847-A Cucumber aroma compound, preparation method thereof and cucumber aroma base 波顿香料股份有限公司 2023-06-30 CN disclosed