SCHEMBL5481202

SCHEMBL5481202

CCCCCCCCS[C]=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
THRB P10828 2/20 0.42
CES2 O00748 6/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
GMNN O75496 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
BLM P54132 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CA2 P00918 1/20 0.40
EPHX1 P07099 1/20 0.38
CES1 P23141 7/20 0.36
FAAH O00519 4/20 0.36
PLA2G6 O60733 1/20 0.36
DNM1 Q05193 2/20 0.35
EPHX2 P34913 1/20 0.35
ALDH1A1 P00352 2/20 0.33

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
SCHEMBL2018319 1.00
SCHEMBL7611194 1.00 TSHR (0.42) TSHRTHRBCES2CTSLCTSB
SCHEMBL7613233 1.00 TSHR (0.42) TSHRTHRBCES2CTSLCTSB
SCHEMBL5586092 1.00 TSHR (0.42) TSHRTHRBCES2CTSLCTSB
SCHEMBL2025361 0.97
SCHEMBL6706888 0.87 FAAH (0.52) GMNNTP53POLBMAPTCYP2C9
SCHEMBL2018589 0.77
SCHEMBL3265077 0.75 TSHR (0.41) TSHRTHRBCES2CTSLCTSB
SCHEMBL3507116 0.74
SCHEMBL9451397 0.74 TSHR (0.42) TSHRTHRBCES2CTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6342611-B1 BLOCKED RHODAMINE DERIVATIVES CYTOVIA, INC. 2002-01-29 US claimed
US-7270801-B2 Fluorogenic or fluorescent reporter molecules and their applications for whole-cell fluorescence screening assays for caspases and other enzymes and the use thereof CYTOVIA, INC. (US) 2007-09-18 US disclosed
EP-1026988-A4 NOVEL FLUORESCENT REPORTER MOLECULES AND THEIR APPLICATIONS INCLUDING ASSAYS FOR CASPASES CYTOVIA INC (US) 2005-03-30 EP disclosed
US-20040191844-A1 Novel fluorogenic or fluorescent reporter molecules and their applications for whole-cell fluorescence screening assays for caspases and other enzymes and the use thereof CYTOVIA, INC. (US) 2004-09-30 US disclosed
US-6759207-B2 REPORTER COMPOUND FOR USE IN THE DIAGNOSIS, DETECTION AND TREATMENT OF CANCER CYTOVIA, INC. 2004-07-06 US disclosed
US-20020150885-A1 Novel fluorogenic or fluorescent reporter molecules and their applications for whole-cell fluorescence screening assays for caspases and other enzymes and the use thereof CYTOVIA, INC. 2002-10-17 US disclosed
US-6342611-B1 BLOCKED RHODAMINE DERIVATIVES CYTOVIA, INC. 2002-01-29 US disclosed
US-6335429-B1 COMPOUND INCLUDING SUBSTRATE FOR ENZYME AND RHODAMINE DYE; DRUG SCREENING FOR ANTICARCINOGENIC AGENTS CYTOVIA, INC. 2002-01-01 US disclosed
EP-1026988-A1 NOVEL FLUORESCENT REPORTER MOLECULES AND THEIR APPLICATIONS INCLUDING ASSAYS FOR CASPASES Cytovia, Inc. (US) 2000-08-16 EP disclosed
WO-1999018856-A1 NOVEL FLUORESCENT REPORTER MOLECULES AND THEIR APPLICATIONS INCLUDING ASSAYS FOR CASPASES CYTOVIA, INC. (US) 1999-04-22 WO disclosed