SCHEMBL7270148

SCHEMBL7270148

CC(C)c1cc(C[C@](C)(NC(=O)OC(C)(C)C)C(=O)O)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ POLB P06746 2/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ ALOX15 P16050 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ ALOX12 P18054 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ THPO P40225 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ THRA P10827 9/20 0.41
▸ THRB P10828 9/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ EGFR P00533 1/20 0.39

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
SCHEMBL10723225 0.86 KDM4E (0.64) KDM4EALDH1A1CYP1A2POLBCYP3A4
SCHEMBL10723235 0.86 KDM4E (0.64) KDM4EALDH1A1CYP1A2POLBCYP3A4
SCHEMBL21581874 0.84 KDM4E (0.51) KDM4EALDH1A1CYP1A2POLBCYP3A4
SCHEMBL17580480 0.83 CA2 (0.50) KDM4EALDH1A1CYP1A2POLBCYP3A4
SCHEMBL2573120 0.79 BLM (0.50) KDM4EALDH1A1CYP1A2POLBCYP3A4
SCHEMBL2982712 0.79 BLM (0.50) KDM4EALDH1A1CYP1A2POLBCYP3A4
SCHEMBL8939569 0.79 CTSB (0.54) KDM4EALDH1A1CYP1A2POLBCYP3A4
SCHEMBL7856910 0.79 CTSB (0.54) KDM4EALDH1A1CYP1A2POLBCYP3A4
SCHEMBL6107393 0.77 KDM4E (0.43) KDM4EALDH1A1CYP1A2POLBCYP3A4
SCHEMBL6107394 0.77 KDM4E (0.43) KDM4EALDH1A1CYP1A2POLBCYP3A4

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
EP-0048159-A2 Novel carboxyalkyl peptides and thioethers and ethers of peptides as antihypertensive agents UNIVERSITY OF MIAMI (US) 1982-03-24 — — EP disclosed
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