SCHEMBL9730306

SCHEMBL9730306

CC(=O)N(O)CC1COc2ccc(Oc3ccccc3)cc2C1

nearest known ligand 0.80

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 14/20 0.80
MTNR1A P48039 3/20 0.50
PTGS1 P23219 2/20 0.43
PTGS2 P35354 2/20 0.43
ALOX12 P18054 1/20 0.43
ALOX5AP P20292 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
SCHEMBL9729641 0.89 ALOX5 (1.00) ALOX5PTGS1PTGS2ALOX12
SCHEMBL9695898 0.79 ALOX5 (0.80) ALOX5MTNR1A
SCHEMBL9696815 0.79 ALOX5 (0.80) ALOX5PTGS1PTGS2ALOX12
SCHEMBL9729854 0.78 ALOX5 (0.51) ALOX5PTGS1PTGS2ALOX5AP
SCHEMBL9729759 0.76 ALOX5 (0.59) ALOX5
Formamide SCHEMBL9729642 0.74 ALOX5 (0.61) ALOX5MTNR1A
SCHEMBL9730076 0.72 ALOX5 (0.71) ALOX5MTNR1A
SCHEMBL9729579 0.69 ALOX5 (1.00) ALOX5PTGS1PTGS2ALOX12
SCHEMBL9741978 0.69 ALOX5 (1.00) ALOX5ALOX12
SCHEMBL9695902 0.69 ALOX5 (0.77) ALOX5PTGS1PTGS2ALOX12

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
US-5155130-A Lipoxygenase inhibitors CIBA-GEIGY CORPORATION (US) 1992-10-13 US disclosed
EP-0412939-A2 Certain benzopyran and benzothiopyran derivatives CIBA-GEIGY AG (CH) 1991-02-13 EP disclosed