SCHEMBL5418521

SCHEMBL5418521

CCCCCCCCCCc1ccc(-c2c(-c3ccc(CCCCCCCCCC)cc3)c3ccccc3c3ccccc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 1/20 0.52
CTSL P07711 1/20 0.52
HSD17B10 Q99714 3/20 0.52
ALDH1A1 P00352 3/20 0.52
ESR1 P03372 2/20 0.52
ADRA2A P08913 2/20 0.52
ADORA3 P0DMS8 2/20 0.52
TACR2 P21452 2/20 0.52
SLC6A2 P23975 2/20 0.52
SLC6A4 P31645 2/20 0.52
SLC6A3 Q01959 2/20 0.52
HTR2A P28223 2/20 0.52
KDM4E B2RXH2 2/20 0.52
LMNA P02545 1/20 0.52
SHBG P04278 1/20 0.52
TP53 P04637 1/20 0.52
CYP3A4 P08684 1/20 0.52
HSPD1 P10809 1/20 0.52
ADRB3 P13945 1/20 0.52
HTR2C P28335 1/20 0.52

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
SCHEMBL10491604 0.88 HSD11B1 (0.55) CTSVCTSLHSD17B10ALDH1A1ESR1
SCHEMBL10491901 0.88 HSD11B1 (0.55) CTSVCTSLHSD17B10ALDH1A1ESR1
SCHEMBL5418539 0.87 CTSV (0.46) CTSVCTSLHSD17B10ALDH1A1ESR1
SCHEMBL5418235 0.87 CTSV (0.46) CTSVCTSLHSD17B10ALDH1A1ESR1
SCHEMBL9957347 0.87 CTSV (0.48) CTSVCTSLHSD17B10ALDH1A1ESR1
SCHEMBL5880699 0.86 HSD11B1 (0.47) CTSVCTSLHSD17B10ALDH1A1ESR1
SCHEMBL16678699 0.85 HSD11B1 (0.63) CTSVCTSLHSD17B10ALDH1A1ESR1
SCHEMBL18886414 0.84 HSD11B1 (0.48) CTSVCTSLHSD17B10ALDH1A1ESR1
SCHEMBL3725185 0.84 HSD11B1 (0.50) CTSVCTSLHSD17B10ALDH1A1TP53
SCHEMBL10476827 0.82 HSD11B1 (0.52) CTSVCTSLHSD17B10ALDH1A1HTR2A

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-20070191583-A1 Polymers based on 3,6-and 2,7-conjugated poly(phenanthrene) and pled devices MAX-PLANCK-SOCIETY (DE) 2007-08-16 US disclosed
US-20070152209-A1 Devices using polymers based on 3,6- and 2,7-conjugated poly(phenanthrene) E. I. DU PONT DE NEMOURS AND COMPANY 2007-07-05 US disclosed