SCHEMBL29010070

SCHEMBL29010070

CCC(C(=O)O)c1ccc(C(C)F)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 13/20 0.44
AKR1C2 P52895 13/20 0.44
PTGS1 P23219 2/20 0.40
AKR1C1 Q04828 1/20 0.40
POLB P06746 1/20 0.38
PTGS2 P35354 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
KCNQ2 O43526 1/20 0.37

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
SCHEMBL28578031 0.87 AKR1C3 (0.42) AKR1C3AKR1C2PTGS1AKR1C1POLB
SCHEMBL29009755 0.81 PTGS1 (0.46) AKR1C3AKR1C2PTGS1AKR1C1PTGS2
SCHEMBL4778923 0.80 HTT (0.46) POLB
SCHEMBL29009982 0.77 AKR1C3 (0.49) AKR1C3AKR1C2PTGS1AKR1C1POLB
SCHEMBL2383322 0.77 TSHR (0.40) AKR1C3AKR1C2PTGS1AKR1C1KCNQ2
SCHEMBL29009754 0.76 AKR1C3 (0.45) AKR1C3AKR1C2PTGS1AKR1C1PTGS2
SCHEMBL14192004 0.74 AKR1C3 (0.64) AKR1C3AKR1C2PTGS1AKR1C1KCNQ2
SCHEMBL6017403 0.74 AKR1C3 (0.64) AKR1C3AKR1C2PTGS1AKR1C1KCNQ2
SCHEMBL30730198 0.74 AKR1C3 (0.64) AKR1C3AKR1C2PTGS1AKR1C1KCNQ2
SCHEMBL22230559 0.74 AKR1C3 (0.56) AKR1C3AKR1C2PTGS1AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116209433-B Small molecule albumin binding agents 俄勒冈健康科学大学 2025-05-23 CN disclosed
CN-116209433-A Small molecule albumin binding agents 俄勒冈健康科学大学 2023-06-02 CN disclosed