SCHEMBL25836630

SCHEMBL25836630

COC(=O)C(C)C(C)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.62
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
HCAR2 Q8TDS4 1/20 0.43
TSHR P16473 1/20 0.43
CYP26A1 O43174 2/20 0.43
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KLK7 P49862 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 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
SCHEMBL14626670 1.00 KMT2A (0.62) KMT2APTGS1PTGS2MEN1ALDH1A1
SCHEMBL19419826 0.86 KMT2A (0.60) KMT2APTGS1PTGS2MEN1ALDH1A1
SCHEMBL29524720 0.86 KMT2A (0.60) KMT2APTGS1PTGS2MEN1ALDH1A1
SCHEMBL15317926 0.86 KMT2A (0.60) KMT2APTGS1PTGS2MEN1ALDH1A1
SCHEMBL16931952 0.86 KMT2A (0.60) KMT2APTGS1PTGS2MEN1ALDH1A1
SCHEMBL10001746 0.86 KMT2A (0.60) KMT2APTGS1PTGS2MEN1ALDH1A1
SCHEMBL16732338 0.84 KMT2A (0.62) KMT2APTGS1PTGS2MEN1ALDH1A1
SCHEMBL18079516 0.84 KMT2A (0.62) KMT2APTGS1PTGS2MEN1ALDH1A1
SCHEMBL11073226 0.82 KMT2A (0.60) KMT2APTGS1PTGS2MEN1ALDH1A1
SCHEMBL9683887 0.82 KMT2A (0.60) KMT2APTGS1PTGS2MEN1ALDH1A1

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-1914173-A Quinolines useful in treating cardiovascular disease WYETH CORP (US) 2007-02-14 CN claimed
CN-119638540-A Method for reducing alpha, beta-unsaturated ester, nitrile and amide 南开大学 2025-03-18 CN disclosed
US-11703758-B2 Photosensitive composition for EUV light, pattern forming method, and method for manufacturing electronic device FUJIFILM CORPORATION (JP) 2023-07-18 US disclosed
CN-1914173-A Quinolines useful in treating cardiovascular disease WYETH CORP (US) 2007-02-14 CN disclosed