SCHEMBL5880676

SCHEMBL5880676

CCCCCCCCc1ccc(-c2ccccc2-c2c3ccccc3c(Br)c3ccccc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44
HSD11B1 P28845 3/20 0.43
HSD17B10 Q99714 3/20 0.42
TSHR P16473 1/20 0.42
GPR3 P46089 1/20 0.42
ALDH1A1 P00352 3/20 0.41
ESR1 P03372 2/20 0.41
ADRA2A P08913 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
TACR2 P21452 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
HTR2A P28223 2/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
SHBG P04278 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 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
SCHEMBL9957347 0.88 CTSV (0.48) CTSVCTSLHSD11B1HSD17B10TSHR
SCHEMBL5880677 0.82 HSD11B1 (0.43) CTSVCTSLHSD11B1HSD17B10TSHR
SCHEMBL5599432 0.80 HSD11B1 (0.61) HSD11B1HSD17B10TSHRGPR3ALDH1A1
SCHEMBL35867 0.80 HSD11B1 (0.61) HSD11B1HSD17B10TSHRGPR3ALDH1A1
SCHEMBL5418521 0.79 CTSV (0.52) CTSVCTSLHSD11B1HSD17B10TSHR
Phosphine SCHEMBL27545611 0.79 HSD11B1 (0.59) HSD11B1HSD17B10TSHRGPR3ALDH1A1
Phosphine SCHEMBL27456116 0.79 HSD11B1 (0.59) HSD11B1HSD17B10TSHRGPR3ALDH1A1
Hydrogen Sulfide SCHEMBL28025844 0.79 HSD11B1 (0.59) HSD11B1HSD17B10TSHRGPR3ALDH1A1
Hydrogen Sulfide SCHEMBL27798487 0.79 HSD11B1 (0.59) HSD11B1HSD17B10TSHRGPR3ALDH1A1
SCHEMBL29939361 0.78 HSD11B1 (0.63) HSD11B1HSD17B10TSHRALDH1A1ESR1

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-7049011-B2 Organic electroluminescent device TDK CORPORATION (JP) 2006-05-23 US disclosed
US-20040048100-A1 Organic electroluminescent device TDK CORPORATION (JP) 2004-03-11 US disclosed