SCHEMBL9729779

SCHEMBL9729779

CC(NO)C1=Cc2cc(Oc3ccccc3)ccc2OC1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 19/20 0.63
ALOX12 P18054 2/20 0.49
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
MTNR1A P48039 1/20 0.40

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
SCHEMBL9731452 0.78 ALOX5 (1.00) ALOX5ALOX12PTGS1PTGS2
Formamide SCHEMBL9730573 0.76 ALOX5 (0.61) ALOX5ALOX12PTGS1PTGS2
SCHEMBL9729495 0.76 ALOX5 (0.61) ALOX5ALOX12PTGS1PTGS2MTNR1A
Hydrochloric Acid SCHEMBL9731115 0.75 ALOX5 (0.60) ALOX5ALOX12PTGS1PTGS2MTNR1A
SCHEMBL9730986 0.73 ALOX5 (0.64) ALOX5ALOX12PTGS1PTGS2
SCHEMBL9731620 0.72 ALOX5 (0.56) ALOX5ALOX12PTGS1PTGS2
SCHEMBL9729681 0.71 ALOX5 (1.00) ALOX5ALOX12PTGS1PTGS2
SCHEMBL9731344 0.71 ALOX5 (0.60) ALOX5ALOX12PTGS1PTGS2MTNR1A
Formamide SCHEMBL9729455 0.71 ALOX5 (0.60) ALOX5ALOX12PTGS1PTGS2MTNR1A
SCHEMBL9729708 0.70 ALOX5 (0.54) ALOX5ALOX12PTGS1PTGS2

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