SCHEMBL31359586

SCHEMBL31359586

CCc1ccc(C(O)C(C(=O)C(c2ccc(CC)cc2)C(O)c2ccc(CC)cc2)c2ccc(CC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.44
▸ LMNA P02545 2/20 0.43
▸ ATM Q13315 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ AKR1C3 P42330 1/20 0.40
▸ AKR1C2 P52895 1/20 0.40
▸ PLK1 P53350 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ TAS1R3 Q7RTX0 1/20 0.38
▸ TAS1R1 Q7RTX1 1/20 0.38
▸ CRHBP P24387 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ PLAU P00749 1/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ LPL P06858 1/20 0.36

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
SCHEMBL3686505 0.81 TSHR (0.54) ALDH1A1LMNAATML3MBTL1TSHR
SCHEMBL28629132 0.75 TSHR (0.48) ALDH1A1LMNAATML3MBTL1TSHR
SCHEMBL30943794 0.75 HDAC3 (0.45) ALDH1A1LMNAHTT
SCHEMBL6055175 0.75 TSHR (0.48) ALDH1A1LMNAATML3MBTL1TSHR
SCHEMBL28048221 0.75 SRC (0.44) LMNATSHRTDP1HPGDCYP2C9
SCHEMBL28338447 0.74 FFAR2 (0.47) LMNATSHRCYP2C9CYP2C19KMT2A
SCHEMBL27513383 0.74 AKR1C3 (0.51) ALDH1A1LMNAATML3MBTL1TSHR
SCHEMBL27906641 0.73 CYP2D6 (0.58) ALDH1A1LMNATSHRMAPK1CYP2C9
SCHEMBL18660812 0.72 KDM4E (0.57) ALDH1A1LMNAATML3MBTL1TSHR
SCHEMBL28620627 0.72 TSHR (0.45) ALDH1A1LMNAATML3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119263946-A Preparation method of alpha-acyloxyketone compound 华南师范大学 2025-01-07 — — CN disclosed
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