SCHEMBL9730672

SCHEMBL9730672

CC1Oc2ccc(Oc3ccccc3)cc2C=C1C=O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 17/20 0.55
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
ALOX12 P18054 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL9730231 0.83 ALOX5 (0.55) ALOX5ALOX12PTGS1PTGS2
SCHEMBL9729627 0.83 ALOX5 (0.59) ALOX5KDM4EALDH1A1HPGDNPC1
Formamide SCHEMBL9729963 0.76 ALOX5 (0.62) ALOX5ALOX12PTGS1PTGS2
SCHEMBL9729648 0.73 ALOX5 (0.63) ALOX5ALOX12PTGS1PTGS2
SCHEMBL9729962 0.71 ALOX5 (1.00) ALOX5ALOX12PTGS1PTGS2
SCHEMBL9729708 0.70 ALOX5 (0.54) ALOX5ALOX12PTGS1PTGS2
SCHEMBL9729784 0.68 ALOX5 (0.53) ALOX5ALOX12PTGS1PTGS2
SCHEMBL6092337 0.67 PTGS2 (0.73) PTGS1PTGS2
SCHEMBL6094274 0.67 PTGS2 (0.73) PTGS1PTGS2
SCHEMBL9195493 0.65 PARP1 (0.59) ALOX5POLBMAPT

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