SCHEMBL29993475

SCHEMBL29993475

C[C@H](C(=O)O)c1ccc2cc(O)ccc2c1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 13/20 0.65
AKR1C2 P52895 13/20 0.65
PTGS2 P35354 4/20 0.65
PTGS1 P23219 3/20 0.65
CDC42 P60953 1/20 0.65
RAC1 P63000 1/20 0.65
CYP1A2 P05177 1/20 0.65
TSHR P16473 1/20 0.65
SLC22A6 Q4U2R8 1/20 0.65
AKR1B1 P15121 1/20 0.54
CYP2C9 P11712 2/20 0.53
HSD17B10 Q99714 1/20 0.53
APP P05067 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53

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
SCHEMBL134150 1.00 AKR1C3 (0.65) AKR1C3AKR1C2PTGS2PTGS1CDC42
SCHEMBL1448280 1.00 AKR1C3 (0.65) AKR1C3AKR1C2PTGS2PTGS1CDC42
SCHEMBL29993492 1.00 AKR1C3 (0.65) AKR1C3AKR1C2PTGS2PTGS1CDC42
SCHEMBL554068 1.00 AKR1C3 (0.65) AKR1C3AKR1C2PTGS2PTGS1CDC42
SCHEMBL13810650 0.89 AKR1C3 (0.53) AKR1C3AKR1C2PTGS2PTGS1CDC42
SCHEMBL12744140 0.88 AKR1C3 (0.51) AKR1C3AKR1C2PTGS2PTGS1CDC42
SCHEMBL11470486 0.85 AKR1C3 (0.69) AKR1C3AKR1C2PTGS2PTGS1CDC42
SCHEMBL10025981 0.83 AKR1B1 (0.69) AKR1C3AKR1C2PTGS2PTGS1CDC42
SCHEMBL1217681 0.83 AKR1B1 (0.69) AKR1C3AKR1C2PTGS2PTGS1CDC42
Ammonia Solution, Strong SCHEMBL11721423 0.83 AKR1C3 (0.67) AKR1C3AKR1C2PTGS2PTGS1CDC42

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-115322099-B Naproxen-cinnamic acid derivative and application thereof in preparation of medicines for treating LPS-induced inflammation 五邑大学 2024-04-02 CN claimed
CN-115322099-A Naproxen-cinnamic acid derivatives and application thereof in preparation of drugs for treating LPS (LPS) -induced inflammation 五邑大学 2022-11-11 CN claimed
CN-115322099-B Naproxen-cinnamic acid derivative and application thereof in preparation of medicines for treating LPS-induced inflammation 五邑大学 2024-04-02 CN disclosed
CN-115322099-A Naproxen-cinnamic acid derivatives and application thereof in preparation of drugs for treating LPS (LPS) -induced inflammation 五邑大学 2022-11-11 CN disclosed