SCHEMBL9393552

SCHEMBL9393552

CO[C@@]1(c2cccc(OCc3ccc4ccccc4c3)c2)CCC(=O)[C@H](C)C1

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 19/20 0.74
ADAM17 P78536 1/20 0.51

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
SCHEMBL9353041 0.85 ALOX5 (1.00) ALOX5ADAM17
Ethylene SCHEMBL9356405 0.83 ALOX5 (0.96) ALOX5ADAM17
Ethylene Glycol SCHEMBL9389596 0.82 ALOX5 (0.92) ALOX5ADAM17
SCHEMBL9229523 0.80 ALOX5 (0.72) ALOX5ADAM17
SCHEMBL9356694 0.80 ALOX5 (1.00) ALOX5
SCHEMBL9388482 0.79 ALOX5 (0.80) ALOX5ADAM17
SCHEMBL9352781 0.79 ALOX5 (0.80) ALOX5ADAM17
SCHEMBL9223175 0.78 ALOX5 (1.00) ALOX5ADAM17
SCHEMBL9393716 0.78 ALOX5 (0.76) ALOX5ADAM17
SCHEMBL9393712 0.78 ALOX5 (0.76) ALOX5ADAM17

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
WO-1994005638-A1 TRANS 1,4-DIETHER CYCLOHEXANE INHIBITORS OF 5-LIPOXYGENASE ABBOTT LABORATORIES (US) 1994-03-17 WO claimed
WO-1994005638-A1 TRANS 1,4-DIETHER CYCLOHEXANE INHIBITORS OF 5-LIPOXYGENASE ABBOTT LABORATORIES (US) 1994-03-17 WO disclosed