SCHEMBL9729990

SCHEMBL9729990

CC(C)(C)c1ccc(Oc2ccc(O)c(C=O)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.58
MAPT P10636 4/20 0.46
HPGD P15428 3/20 0.46
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
ESRRA P11474 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
PTPN1 P18031 2/20 0.43
PTPN2 P17706 1/20 0.43
TRIM24 O15164 1/20 0.42
TYR P14679 1/20 0.42
TRIM33 Q9UPN9 1/20 0.42
HSD17B10 Q99714 2/20 0.42
ALOX15 P16050 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
XDH P47989 1/20 0.41
RECQL P46063 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL3889158 0.85 ERN1 (0.71) ERN1TRIM24TYRTRIM33
SCHEMBL3887594 0.82 ERN1 (0.62) ERN1TRIM24TYRTRIM33MEN1
SCHEMBL332380 0.81 MAPT (0.62) ERN1MAPTHPGDALDH1A1SMN1; SMN2
SCHEMBL6093640 0.80 ERN1 (0.61) ERN1TRIM24TYRTRIM33CA1
SCHEMBL11417093 0.80 MAPT (0.61) ERN1MAPTHPGDALDH1A1SMN1; SMN2
SCHEMBL9048075 0.79 ERN1 (0.59) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL2535056 0.79 ERN1 (0.60) ERN1MAPTSMN1; SMN2
SCHEMBL12952823 0.78 ERN1 (0.54) ERN1TRIM24TYRTRIM33
SCHEMBL2161314 0.76 ALDH1A1 (0.40) ERN1MAPTHPGDALDH1A1NPC1
SCHEMBL13580798 0.75 TRPV1 (0.44) MAPTHPGDALDH1A1NPC1MAPK1

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