SCHEMBL3844976

SCHEMBL3844976

Oc1ccc(C23CC4(c5ccc(O)cc5O)CC(c5ccc(O)cc5O)(C2)CC(C25CC6(c7ccc(O)cc7O)CC(c7ccc(O)cc7O)(CC(c7ccc(O)cc7O)(C6)C2)C5)(C3)C4)c(O)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.35
CES2 O00748 1/20 0.34
ALOX5 P09917 1/20 0.33
CA12 O43570 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
TSHR P16473 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CYP3A4 P08684 1/20 0.33
LMNA P02545 2/20 0.32
ALOX12 P18054 2/20 0.32
PDK2 Q15119 1/20 0.31
PBRM1 Q86U86 1/20 0.31
EGFR P00533 1/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30

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
SCHEMBL3759822 0.94 TYR (0.39) TYRCES2ALOX5CA12ALDH1A1
SCHEMBL3849644 0.88 ALOX5 (0.38) TYRALOX5LMNAALOX12ESR1
SCHEMBL3842486 0.87 CNR2 (0.34) LMNAALOX12
SCHEMBL3841203 0.86 LMNA (0.33) ALDH1A1CYP3A4LMNAALOX12ESR1
SCHEMBL3845893 0.84 CNR2 (0.38) ESR1
SCHEMBL3843069 0.82 CNR2 (0.35) LMNAALOX12
SCHEMBL3759906 0.80 CNR2 (0.38) TYRCES2LMNAALOX12ESR1
SCHEMBL2426368 0.77 KMT2A (0.43) ALDH1A1ESR1
SCHEMBL3846906 0.77 MEN1 (0.41) ALDH1A1CYP3A4ALOX12
SCHEMBL3845041 0.77 KMT2A (0.40) ALDH1A1ESR1

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-20090318610-A1 ORGANIC INSULATING MATERIALS, VARNISHES FOR ORGANIC INSULATING FILM EMPLOYING THEM, ORGANIC INSULATING FILMS AND SEMICONDUCTOR DEVICES SUMITOMO BAKELITE CO., LTD (JP) 2009-12-24 US disclosed
EP-2117009-A1 ORGANIC INSULATING MATERIAL, VARNISH FOR ORGANIC INSULATING FILM USING THE SAME, ORGANIC INSULATING FILM AND SEMICONDUCTOR DEVICE Sumitomo Bakelite Co., Ltd. (JP) 2009-11-11 EP disclosed