SCHEMBL9729620

SCHEMBL9729620

O=CC1=Cc2cc(-c3ccccc3)ccc2OC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.51
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
MAOB P27338 4/20 0.38
KDM4E B2RXH2 3/20 0.37
GAA P10253 2/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
PTGS2 P35354 7/20 0.36
PTGS1 P23219 6/20 0.36
PTPN1 P18031 3/20 0.35
PTPN2 P17706 2/20 0.35
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL10088907 0.88 ALOX5 (0.40) ALOX5CA12CA9KDM4EGAA
SCHEMBL2568148 0.79 PTGS1 (0.51) ALOX5MAOBKDM4EGAANPC1
SCHEMBL29804937 0.79 PTGS1 (0.51) ALOX5MAOBKDM4EGAANPC1
SCHEMBL9729708 0.78 ALOX5 (0.54) ALOX5MAOBPTGS2PTGS1
SCHEMBL9157430 0.78 ALOX5 (0.48) ALOX5MAOBKDM4EGAANPC1
SCHEMBL9157439 0.78 ALOX5 (0.48) ALOX5MAOBKDM4EGAANPC1
SCHEMBL9729807 0.76 MAOB (0.52) ALOX5CA12CA9MAOBMAPT
SCHEMBL8626959 0.76 MEN1 (0.49) CA12CA9MAOBKDM4EGAA
SCHEMBL1079406 0.76 MAPT (0.42) CA12CA9MAOBKDM4EGAA
SCHEMBL3608669 0.76 MAOB (0.47) ALOX5MAOBKDM4EMAPTPTGS2

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