SCHEMBL21689688

SCHEMBL21689688

O=Cc1ccc(-c2ccc3c(c2)CC3)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.44
DRD1 P21728 2/20 0.41
CYP2A6 P11509 2/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH5A1 P51649 1/20 0.38
ABAT P80404 1/20 0.38
HSD17B1 P14061 1/20 0.38
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
TRIM24 O15164 2/20 0.37
TRIM33 Q9UPN9 2/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
HSD17B3 P37058 1/20 0.36
MAOB P27338 1/20 0.36
ALDH1A1 P00352 3/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL2609180 0.82 ALDH1A1 (0.47) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL29952325 0.82 ALDH1A1 (0.47) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL22187693 0.79 ALDH1A1 (0.46) HSD17B10HSD17B1CYP11B1CYP11B2ADRA2A
SCHEMBL1666706 0.76 CYP2A6 (0.58) KIF11DRD1CYP2A6HSD17B10ALDH5A1
SCHEMBL27335985 0.76 CYP2A6 (0.58) KIF11DRD1CYP2A6HSD17B10ALDH5A1
SCHEMBL25288128 0.76 CYP2A6 (0.58) KIF11DRD1CYP2A6HSD17B10ALDH5A1
SCHEMBL976904 0.76 CYP2A6 (0.58) KIF11DRD1CYP2A6HSD17B10ALDH5A1
SCHEMBL2558649 0.74 DRD2 (0.47) KIF11DRD1ALDH1A1CA12CA1
SCHEMBL25249571 0.74 CYP2A6 (0.50) KIF11DRD1CYP2A6HSD17B10ALDH5A1
SCHEMBL4096252 0.74 CYP2A6 (0.50) KIF11DRD1CYP2A6HSD17B10ALDH5A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200321529-A1 Polymer, Coating Composition Comprising Same, and Organic Light Emitting Element Using Same LG CHEM, LTD. (KR) 2020-10-08 US disclosed
US-20200291175-A1 Novel Polymer and Organic Light Emitting Device Comprising the Same LG CHEM, LTD. (KR) 2020-09-17 US disclosed
WO-2020027589-A1 NOVEL POLYMER AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2020-02-06 WO disclosed