SCHEMBL28699523

SCHEMBL28699523

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

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.46
MMP12 P39900 2/20 0.46
MMP13 P45452 2/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP14 P50281 1/20 0.46
MME P08473 1/20 0.44
FFAR1 O14842 1/20 0.43
CNR2 P34972 1/20 0.42
TSHR P16473 1/20 0.42
LDHA P00338 1/20 0.42
KEAP1 Q14145 1/20 0.41
ANPEP P15144 1/20 0.41
ERAP1 Q9NZ08 1/20 0.41

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
SCHEMBL3931146 0.91 ESR1 (0.54) ANPEPERAP1
SCHEMBL2291948 0.90 MMP8 (0.56) MMP8MMECNR2TSHRKEAP1
SCHEMBL5871596 0.89 FFAR1 (0.49) FFAR1
SCHEMBL7828484 0.85 PPARG (0.50)
SCHEMBL27496396 0.84 MMP12 (0.51) MMP12MMP13FFAR1ANPEPERAP1
SCHEMBL3097653 0.84 TSHR (0.61) TSHRANPEPERAP1
SCHEMBL28126646 0.84 LDHA (0.68) FFAR1LDHA
SCHEMBL3485224 0.81 CYP4A11 (0.60) MMP8MMP2TSHR
SCHEMBL2763482 0.80 HTR2A (0.48)
SCHEMBL10755011 0.80 SLC7A5 (0.50) ANPEPERAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4281058-B1 FUNCTIONALIZED LONG-CHAIN DICARBOXYLIC ACIDS, AND THEIR USE FOR TREATMENT OF KIDNEY DISEASES ESPERVITA THERAPEUTICS INC (US) 2026-03-18 EP disclosed
CN-118903087-A Functionalized long chain hydrocarbon mono-and dicarboxylic acids useful in the prevention or treatment of disease 埃斯佩尔维塔治疗股份有限公司 2024-11-08 CN disclosed
CN-114126593-B Functionalized long chain hydrocarbon mono-and dicarboxylic acids useful in the prevention or treatment of disease 埃斯佩尔维塔治疗股份有限公司 2024-07-26 CN disclosed
CN-118119386-A Functionalized carboxylic acids and their use for treating diseases 埃斯佩尔维塔治疗股份有限公司 2024-05-31 CN disclosed
EP-4281058-A2 FUNCTIONALIZED LONG-CHAIN CARBOXYLIC ACIDS, AND THEIR USE FOR TREATMENT OF DISEASE Espervita Therapeutics, Inc. (US) 2023-11-29 EP disclosed
WO-2022159808-A2 FUNCTIONALIZED LONG-CHAIN HYDROCARBON MONO- AND DI-CARBOXYLIC ACIDS AND DERIVATIVES THEREOF, AND THEIR USE FOR THE PREVENTION OR TREATMENT OF DISEASE ESPERVITA THERAPEUTICS, INC. (US) 2022-07-28 WO disclosed
WO-2022159811-A1 FUNCTIONALIZED LONG-CHAIN HYDROCARBON MONO- AND DI-CARBOXYLIC ACIDS AND DERIVATIVES THEREOF, AND THEIR USE FOR THE PREVENTION OR TREATMENT OF DISEASE ESPERVITA THERAPEUTICS, INC. (US) 2022-07-28 WO disclosed
EP-4003314-A1 FUNCTIONALIZED LONG-CHAIN HYDROCARBON MONO- AND DI-CARBOXYLIC ACIDS USEFUL FOR THE PREVENTION OR TREATMENT OF DISEASE Espervita Therapeutics, Inc. (US) 2022-06-01 EP disclosed
CN-114126593-A Functionalized long chain hydrocarbon mono-and dicarboxylic acids useful for preventing or treating disease 埃斯佩尔维塔治疗股份有限公司 2022-03-01 CN disclosed